SCHEMBL11577347

SCHEMBL11577347

COc1ccc(C(=O)c2ccccc2OC)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.54
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47

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
SCHEMBL11810033 0.90 CYP1A2 (0.51) MAPTHTTNPSR1CYP1A2CYP2C19
SCHEMBL11858724 0.89 LMNA (0.58) STSMAPTHTTNPSR1TSHR
SCHEMBL11576360 0.87 CYP1A2 (0.70) STSMAPTHTTNPSR1CYP1A2
SCHEMBL11577171 0.84 CYP1A2 (0.70) MAPTHTTNPSR1CYP1A2CYP2C19
SCHEMBL9360017 0.83 CYP1A2 (0.69) MAPTHTTCYP1A2CYP2C19CYP3A4
SCHEMBL15100859 0.83 KMT2A (0.54) STSMAPTHTTNPSR1ALDH1A1
SCHEMBL3484026 0.83 RAB9A (0.66) STSMAPTHTTNPSR1ALDH1A1
SCHEMBL11575491 0.83 KMT2A (0.58) STSMAPTHTTNPSR1CYP1A2
SCHEMBL11805654 0.81 CYP1A2 (0.61) MAPTHTTNPSR1CYP1A2CYP2C19
SCHEMBL1407465 0.81 CYP1A2 (0.45) MAPTHTTNPSR1CYP1A2CYP2C19

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-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-3954875-A Benzophenone herbicides ROHM AND HAAS COMPANY (US) 1976-05-04 US disclosed