SCHEMBL7271045

SCHEMBL7271045

NN(CCCl)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 2/20 0.47
ABCB11 O95342 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
ACHE P22303 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL27863169 1.00 PTGS1 (0.47) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL10336122 0.88 HIF1A (0.48) PTGS1SLC7A5CYP3A4ALDH1A1ALOX15
SCHEMBL11446574 0.86 CYP3A4 (0.38) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL2778928 0.84 ALPI (0.47) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL28232490 0.84 CHRM1 (0.43) PTGS1ALPIPKMXIAPSLC7A5
Merophan SCHEMBL31473334 0.83 CYP1A2 (0.48) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL27339211 0.80 CSNK1E (0.44) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL27339210 0.80 CSNK1E (0.44) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL2781695 0.80 ALPI (0.50) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL5069630 0.80 ALPI (0.50) PTGS1ALPIPKMXIAPSLC7A5

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

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105627-B Unnatural base pair compositions and methods of use 斯克利普斯研究所 2024-07-02 CN disclosed
CN-118139868-A Orally bioavailable nucleoside analogs 维纳拓尔斯制药公司 2024-06-04 CN disclosed
CN-114126619-B Compounds for the synthesis of peptidomimetics 范因斯坦医学研究院 2024-03-15 CN disclosed
CN-111182880-B WNT compositions and process from serum-free culture conditions 安卡萨再生疗法公司 2024-01-09 CN disclosed
CN-116445398-A WNT composition and purification method 小利兰斯坦福大学托管委员会 2023-07-18 CN disclosed
CN-116457034-A Nanomaterial and method of use thereof 康涅狄格大学 2023-07-18 CN disclosed
CN-114853866-A Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-08-05 CN disclosed
CN-114761026-A Compositions and methods for in vivo synthesis of non-native polypeptides 斯克利普斯研究所 2022-07-15 CN disclosed
CN-114746099-A Eukaryotic semisynthetic organisms 斯克利普斯研究所 2022-07-12 CN disclosed
CN-112500466-B Peptidomimetic macrocycles 艾瑞朗医疗公司 2022-05-03 CN disclosed
CN-102762208-A Pyrazolopyrimidines and related heterocycles as ck2 inhibitors CYLENE PHARMACEUTICALS INC 2012-10-31 CN disclosed
CN-102625807-A 4-substituted pyridin-3-yl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2012-08-01 CN disclosed
CN-102573846-A Heterocyclic compounds and their use INTELLIKINE INC 2012-07-11 CN disclosed
CN-100491339-C Technique for synthesizing antineoplastic melphalan SUZHOU LEADER CHEMICAL CO LTD (CN) 2009-05-27 CN disclosed
CN-101100440-A Technique for synthesizing antineoplastic melphalan SUZHOU LEADER CHEMICAL CO LTD (CN) 2008-01-09 CN disclosed
US-6582908-B2 Nucleotide sequences for use as tool in genetic engineering AFFYMETRIX, INC. 2003-06-24 US disclosed
US-20010053519-A1 Oligonucleotides AFFYMETRIX, INC. 2001-12-20 US disclosed
US-6022714-A Methods for attachment of a polynucleotide to a preselected material GENETICS INSTITUTE (US) 2000-02-08 US disclosed
EP-0380623-B1 IRREVERSIBLE PEPTIDE LIGANDS FOR BOMBESIN RECEPTORS FARMITALIA CARLO ERBA S.r.l. (IT) 1993-09-29 EP disclosed
US-5100873-A Bombesin antagonist, anticancer agents, oligopeptides FARMITALIA CARLO ERBA (IT) 1992-03-31 US disclosed