SCHEMBL63058

SCHEMBL63058

COc1cc(OC)cc(C(C)(C)OC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ESR1 P03372 2/20 0.34
NQO2 P16083 2/20 0.34
ABL1 P00519 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
ABCB1 P08183 1/20 0.34
ALOX5 P09917 1/20 0.34
BCR P11274 1/20 0.34
CYP19A1 P11511 1/20 0.34
PTGS2 P35354 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL2831513 0.77 GABRA1 (0.41) KDM4EGAATDP1SMN1; SMN2
SCHEMBL29615355 0.76 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL31511037 0.76 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL3276749 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1GAACA1
SCHEMBL15970052 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A1CYP1B1GAACA1
SCHEMBL9620 0.72 ALDH1A1 (0.44) ALDH1A1CYP1A1CYP1B1KDM4EGAA
SCHEMBL11164918 0.72 TSHR (0.47) ALDH1A1KDM4ETDP1CA1CA2
SCHEMBL1376849 0.72 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1KDM4EGAA
SCHEMBL278798 0.71 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1TDP1CA1
SCHEMBL23162447 0.71 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1KDM4EGAA

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 2582 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199681-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS EVONETIX LTD (GB) 2024-06-20 US claimed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
US-20230159450-A1 DIMERS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2023-05-25 US claimed
US-20230111252-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-04-13 US claimed
EP-4146629-A1 DIMERS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS The Feinstein Institutes for Medical Research (US) 2023-03-15 EP claimed
US-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ESCO ASTER PTE. LTD (SG) 2023-03-02 US claimed
WO-2021226431-A1 DIMERS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2021-11-11 WO claimed
US-11161869-B2 Thermally-cleavable protecting and linker groups EVONETIX LTD. (GB) 2021-11-02 US claimed
US-20210317161-A1 A PROCESS FOR THE PREPARATION OF PASIREOTIDE AURO PEPTIDES LTD (IN) 2021-10-14 US claimed
US-20210107934-A1 THERMALLY-CLEAVABLE PROTECTING AND LINKER GROUPS SILICON VALLEY BANK 2021-04-15 US claimed
EP-0700896-B1 Photochemically cleavable agents able to chelate metals and compositions containing them OREAL (FR) 1996-11-06 EP claimed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US claimed
EP-0443532-B1 Temporary minimal protection synthesis of LH-RH analogs SYNTEX INC (US) 1994-06-29 EP claimed
US-5212288-A Luteinizing hormone-releasing hormone antagonists SYNTEX (U.S.A.) INC. (US) 1993-05-18 US claimed
EP-0443532-A2 Temporary minimal protection synthesis of LH-RH analogs SYNTEX (U.S.A.) INC. (US) 1991-08-28 EP claimed
US-5011940-A Process for the preparation of bicyclic amino carboxylic acids, intermediates in this process, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-30 US claimed
EP-0175290-A2 Glycopeptides, method for their preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1986-03-26 EP claimed
US-4215037-A Partially protected human insulin-A-chain and process for its manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-29 US claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed