SCHEMBL3880762

SCHEMBL3880762

Cc1cccc(-c2ccccc2OP(O)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
PTGER1 P34995 1/20 0.36
MAPT P10636 2/20 0.36
MYC P01106 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.34
HTR1B P28222 1/20 0.34
MCL1 Q07820 1/20 0.34
BAD Q92934 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL1168100 0.83 MAPT (0.46) TRPA1ATMMAPTCYP1A2CYP3A4
SCHEMBL7595690 0.82 CA1 (0.33) MAPTGAAALDH1A1LMNATP53
SCHEMBL2379351 0.78 TSHR (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29769737 0.78 TSHR (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26140509 0.77 APP (0.48) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL11336681 0.76 MYC (0.41) MAPTMYCALDH1A1MEN1LMNA
SCHEMBL3880761 0.76 AKR1C3 (0.40) MAPTNPSR1GAAALDH1A1MEN1
SCHEMBL708547 0.76 MAPT (0.39) TRPA1ATMPTGER1MAPTCYP1A2
SCHEMBL2355649 0.75 POLB (0.44) PTGER1MAPTMYCCYP1A2CYP3A4
SCHEMBL2355654 0.74 PTGER1 (0.44) TRPA1PTGER1MAPTMYCCYP1A2

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-7517838-B2 Lubricating oil for bearing NEW JAPAN CHEMICAL CO., LTD. (JP) 2009-04-14 US disclosed
US-20060019840-A1 Lubricating oil for bearing NEW JAPAN CHEMICAL CO., LTD. (JP) 2006-01-26 US disclosed