SCHEMBL7203636

SCHEMBL7203636

CCc1cc(C(C)c2cc(CC)cc(C(C)(C)C)c2C=CC(=O)O)c(C=CC(=O)O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
HSPA5 P11021 1/20 0.37
RARB P10826 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP26A1 O43174 2/20 0.33
AKR1C3 P42330 2/20 0.33
CYP26B1 Q9NR63 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 3/20 0.33
KMT2A Q03164 2/20 0.33
PTGS1 P23219 2/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 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
SCHEMBL4158422 0.84 GAA (0.39) HSPA5SMN1; SMN2ALDH1A1AKR1C3KDM4E
SCHEMBL7200424 0.82 SMN1; SMN2 (0.45) HSPA5SMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL7200672 0.82 CYP3A4 (0.37) RARBSMN1; SMN2ALDH1A1CYP26A1CYP26B1
SCHEMBL7182928 0.81 HSPA5 (0.53) PTGS2HSPA5RARBSMN1; SMN2ALDH1A1
SCHEMBL7206085 0.80 HSPA5 (0.36) HSPA5RARBALDH1A1CYP26A1AKR1C3
SCHEMBL809386 0.76 CYP1A2 (0.44) PTGS2SMN1; SMN2ALDH1A1CYP26A1CYP26B1
SCHEMBL809463 0.76 SMN1; SMN2 (0.42) PTGS2HSPA5SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4157787 0.75 CYP1A2 (0.39) PTGS2SMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL7203428 0.75 RXRA (0.41) RARBSMN1; SMN2ALDH1A1CYP26A1AKR1C3
SCHEMBL3219897 0.71 HSPA5 (0.59) HSPA5SMN1; SMN2ALDH1A1KDM4EMAPK1

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
WO-2003045957-A1 3-BIPHENYL-SUBSTITUTED-3-SUBSTITUTED-4-KETOLACTAM AND KETOLACTONE AND THEIR UTILIZATION AS PESTICIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-05 WO disclosed
US-6525120-B2 Stabilization using bisphenol ester SUMITOMO CHEMICAL CO., LTD. (JP) 2003-02-25 US disclosed
US-20020002249-A1 Polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-03 US disclosed