SCHEMBL7190404

SCHEMBL7190404

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.40
HMGCR P04035 2/20 0.34
VCAM1 P19320 10/20 0.34
GAA P10253 4/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 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
SCHEMBL499911 0.85 CYP3A4 (0.40) VCAM1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL28961192 0.85 SMN1; SMN2 (0.41) HSPA5VCAM1ALDH1A1HIF1A
SCHEMBL30050586 0.85 CYP3A4 (0.40) VCAM1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL2706553 0.84 HSPA5 (0.40) HSPA5HMGCRVCAM1GAAPKM
SCHEMBL10389068 0.83 CA1 (0.46) VCAM1
SCHEMBL3219897 0.80 HSPA5 (0.59) HSPA5HMGCRGAAHTTKMT2A
SCHEMBL7184267 0.79 HSPA5 (0.62) HSPA5HMGCRVCAM1GAAKMT2A
SCHEMBL13995374 0.77 HSPA5 (0.47) HSPA5HMGCRGAAHTTKMT2A
SCHEMBL30049255 0.76 RXRA (0.37) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL499773 0.76 RXRA (0.37) KMT2AALDH1A1MEN1CYP1A2CYP3A4

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