SCHEMBL20520342

SCHEMBL20520342

CC(C)(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SSTR4 P31391 1/20 0.48
CTNNB1 P35222 1/20 0.47
ACP3 P15309 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MTNR1A P48039 2/20 0.45
MAPT P10636 1/20 0.45
CASR P41180 1/20 0.45
HPGD P15428 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
CTSS P25774 1/20 0.43

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
SCHEMBL29914128 1.00 TDP1 (0.56) TDP1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL27647542 0.86 TDP1 (0.51) TDP1CYP1A2KDM4ESSTR4CTNNB1
SCHEMBL7824528 0.86 TDP1 (0.56) TDP1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL7287681 0.85 TDP1 (0.54) TDP1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL7317433 0.84 TDP1 (0.61) TDP1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL6531713 0.83 TDP1 (0.53) TDP1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL17698876 0.83 WDR5 (0.46) TDP1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL29981949 0.83 TDP1 (0.53) TDP1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL15983796 0.83 LMNA (0.49) CYP1A2KDM4EKMT2AMAPTCYP2C19
SCHEMBL808870 0.82 TDP1 (0.53) TDP1CYP1A2SSTR4CTNNB1ACP3

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-20180282165-A1 METHOD OF FORMING A MULTILAYER STRUCTURE ROHM & HAAS ELECT MAT (US) 2018-10-04 US disclosed