SCHEMBL7200672

SCHEMBL7200672

CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1C=CC(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1C=CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXRA P19793 8/20 0.36
NR1H4 Q96RI1 1/20 0.36
PPARG P37231 6/20 0.36
RARG P13631 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 3/20 0.35
KMT2A Q03164 1/20 0.35
CYP26B1 Q9NR63 4/20 0.34
CYP26A1 O43174 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL809386 0.93 CYP1A2 (0.44) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL7200424 0.85 SMN1; SMN2 (0.45) RXRANR1H4SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7203636 0.82 PTGS2 (0.39) CYP3A4CYP1A2TSHRSMN1; SMN2ALDH1A1
SCHEMBL7203428 0.81 RXRA (0.41) RXRAPPARGRARGSMN1; SMN2ALDH1A1
SCHEMBL809463 0.80 SMN1; SMN2 (0.42) CYP2C9CYP2C19RXRANR1H4SMN1; SMN2
SCHEMBL4157787 0.79 CYP1A2 (0.39) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL7204503 0.78 CYP1A2 (0.36) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL7195989 0.78 RXRA (0.40) CYP3A4RXRANR1H4PPARGRARG
SCHEMBL557319 0.76 RXRA (0.38) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL4158422 0.75 GAA (0.39) CYP3A4CYP1A2CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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