SCHEMBL7831737

SCHEMBL7831737

COc1ccc(-c2c(C(=O)O)c(CSCc3ccc(Cl)cc3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ ERBB2 P04626 2/20 0.38
▸ DHODH Q02127 2/20 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
SCHEMBL7820856 0.89 SLC10A2 (0.49) LMNASMN1; SMN2THRBKMT2AMEN1
SCHEMBL7836104 0.88 FABP3 (0.44) FABP3FABP4FABP5LMNASMN1; SMN2
SCHEMBL8633281 0.82 ALDH1A1 (0.44) FABP3FABP4FABP5LMNASMN1; SMN2
SCHEMBL14917022 0.81 PDE5A (0.48) FABP3FABP4FABP5LMNASMN1; SMN2
SCHEMBL8121664 0.81 FABP3 (0.53) FABP3FABP4FABP5LMNASMN1; SMN2
SCHEMBL8495848 0.78 ALDH1A1 (0.47) FABP3FABP4SMN1; SMN2KMT2AMEN1
SCHEMBL7821085 0.78 MAPT (0.44) FABP3FABP4FABP5LMNASMN1; SMN2
SCHEMBL7829696 0.77 SLC10A2 (0.49) SMN1; SMN2THRBKMT2AMEN1NPSR1
SCHEMBL8139763 0.76 KDM4E (0.42) FABP3FABP4FABP5SMN1; SMN2KMT2A
SCHEMBL7831730 0.76 FABP3 (0.44) FABP3FABP4FABP5LMNAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
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