SCHEMBL8625795

SCHEMBL8625795

COc1ccc(C(C(=O)O)C2CCCCCC2)c(CC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 1/20 0.40
MMP13 P45452 1/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8622194 0.84 HIF1A (0.43) SMN1; SMN2PTGS1PTGS2CYP2C19CYP2C9
SCHEMBL8621255 0.78 ALOX5 (0.68)
SCHEMBL8878016 0.76 SLC6A3 (0.47) KMT2AALDH1A1SMN1; SMN2PTGS2
SCHEMBL1566474 0.72 ALOX5 (0.51) MMP1MMP2MMP3MMP7MMP13
SCHEMBL17471247 0.71 GAA (0.53) GAACYP1A2
SCHEMBL6984545 0.71 MEN1 (0.50) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL10955566 0.70 TSHR (0.46) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL1985353 0.69 GAA (0.51) GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL8827886 0.69 SLC6A3 (0.50) MEN1KMT2AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL9099363 0.69 MEN1 (0.43) MEN1KMT2AGAAALDH1A1SMN1; 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

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582908-B1 2-Substituted quinolylmethoxy-phenylacetic acid- and -benzylacyl derivatives, process for their preparation and their use as inhibitors of leukotriene synthesis BAYER AG (DE) 1998-05-27 EP disclosed
US-5597833-A LEUKOTRIENE SYNTHESIS INHIBITORS FOR ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, ANTIALLERGENS OR ANTIISCHEMIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
EP-0582908-A1 2-Substituted guinolylmethoxy-phenylacetic acid derivatives, process for their preparation and their pharmaceutical use BAYER AG (DE) 1994-02-16 EP disclosed