SCHEMBL7205602

SCHEMBL7205602

CC(=Cc1c(C(C)c2cc(C)cc(C(C)(C)C)c2C=C(C)C(=O)O)cc(C)cc1C(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
AKR1C3 P42330 1/20 0.33
APEX1 P27695 3/20 0.33
HSPA5 P11021 1/20 0.31
TBXAS1 P24557 2/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL7204503 0.86 CYP1A2 (0.36) AKR1C3APEX1TBXAS1GABBR2GABBR1
SCHEMBL7206085 0.82 HSPA5 (0.36) ALDH1A1AKR1C3HSPA5HIF1A
SCHEMBL809465 0.80 CYP3A4 (0.43) SMN1; SMN2ALDH1A1GABBR2GABBR1CYP2C9
SCHEMBL809466 0.80 CYP3A4 (0.43) SMN1; SMN2ALDH1A1GABBR2GABBR1CYP2C9
SCHEMBL7187371 0.78 HSPA5 (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7200424 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL809463 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8415897 0.73 HSPA5 (0.61) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4857323 0.73 HSPA5 (0.61) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7200632 0.73 RXRA (0.38) SMN1; SMN2ALDH1A1AKR1C3

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