SCHEMBL11121

SCHEMBL11121

[CH]1COc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA2 P00918 3/20 0.32
GAA P10253 1/20 0.32
OXTR P30559 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL442744 0.77 POLB (0.36) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL2263211 0.75 SMN1; SMN2 (0.46) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL17969103 0.75 ABCG2 (0.46) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL23270061 0.75 ITGB2 (0.59) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL7509071 0.75 ABCG2 (0.58) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL7509076 0.75 ABCG2 (0.58) ABCG2ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL8176757 0.70 BLM (0.52) LMNAHTTPKMTSHRMAOA
SCHEMBL18936117 0.69 MAP3K14 (0.37) ABCG2ITGB2ICAM1ITGALCA2
SCHEMBL2317954 0.69 LTA4H (0.38) CA2
SCHEMBL8191555 0.69 CA2 (0.40) ABCG2ITGB2ICAM1ITGALSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 20750 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344307-A Compound combined with alpha-synuclein and preparation method and application thereof 江苏省原子医学研究所 2024-07-16 CN claimed
WO-2024147306-A1 AMIDE COMPOUND AND HARMFUL ARTHROPOD CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2024-07-11 WO claimed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN claimed
CN-112512529-B Cyclopentenepurine derivative or salt thereof 富士胶片株式会社 2024-06-18 CN claimed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
WO-2023116835-A9 MULTI-PROTEIN DEGRADATION AGENT HAVING IMIDE SKELETON 苏州开拓药业股份有限公司 2024-05-02 WO claimed
EP-4358954-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2024-05-01 EP claimed
US-20240122941-A1 THERAPY BASED ON SYNTHETIC LETHALITY IN SWI/SNF COMPLEX-DYSFUNCTION CANCER NATIONAL CANCER CENTER (JP) 2024-04-18 US claimed
CN-117865819-A Aromatic amine organic compound and organic electroluminescent device prepared from same 江苏三月科技股份有限公司 2024-04-12 CN claimed
EP-0005318-B1 N-HETEROCYCLYL-4-PIPERIDINAMINES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, INTERMEDIATES THEREFOR, AND METHOD FOR THE PREPARATION OF THE INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1982-01-06 EP claimed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US claimed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US claimed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US claimed
US-4220767-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-02 US claimed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 US claimed
US-4218452-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-19 US claimed
US-4185103-A ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-22 US claimed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 EP claimed
US-4145546-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-03-20 US claimed