SCHEMBL10659785

SCHEMBL10659785

C=CC(=O)Oc1c(C(c2ccccc2)c2cc(C)cc(C(C)(C)C)c2O)cc(C)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
VCAM1 P19320 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TNFRSF1A P19438 2/20 0.33
CACNA1A O00555 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNB1 Q02641 1/20 0.32
HSPA5 P11021 1/20 0.32

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
SCHEMBL29587295 0.82 SMN1; SMN2 (0.41) CYP2C9CYP2C19VCAM1ALDH1A1CA2
SCHEMBL2671849 0.82 SMN1; SMN2 (0.41) CYP2C9CYP2C19VCAM1ALDH1A1CA2
SCHEMBL2671373 0.81 CYP2C9 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5170392 0.81 CA2 (0.53) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25266777 0.80 SMN1; SMN2 (0.36) CYP2C9CYP2C19ALDH1A1CA2POLB
SCHEMBL10664479 0.80 CYP2C9 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL26087867 0.80 CA2 (0.34) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL10655962 0.76 THRB (0.35) CYP2C9CYP2C19VCAM1ALDH1A1CA2
SCHEMBL10660566 0.76 THRB (0.35) CYP2C9CYP2C19VCAM1ALDH1A1CA2
SCHEMBL8781258 0.76 POLB (0.32) ALDH1A1CA2POLBTYRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4774274-A BISPHENOL MONOACRYLATES OR MONOMETHACRYLATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-27 US disclosed