SCHEMBL2133313

SCHEMBL2133313

Cc1cc(CC(CSCC(Cc2cc(C)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HMGCR P04035 2/20 0.39
GAA P10253 4/20 0.39
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 2/20 0.36
HIF1A Q16665 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2133230 0.92 HMGCR (0.46) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL29228065 0.87 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL30077247 0.87 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL2024768 0.87 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL6714136 0.85 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL2856982 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL5817828 0.83 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL2945793 0.82 PPARG (0.43) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL17491169 0.81 PPARG (0.42) CYP1A2CYP2C9CYP2C19HMGCRGAA
SCHEMBL17491365 0.81 PPARG (0.42) CYP1A2CYP2C9CYP2C19HMGCRGAA

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-8530119-B2 Positive photosensitive resin composition, cured film, protective film, interlayer insulating film, and semiconductor device and display element using the same SUMITOMO BAKELITE CO., LTD. (JP) 2013-09-10 US disclosed
US-20120100484-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, PROTECTIVE FILM, INTERLAYER INSULATING FILM, AND SEMICONDUCTOR DEVICE AND DISPLAY ELEMENT USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2012-04-26 US disclosed