SCHEMBL13201401

SCHEMBL13201401

CCOOCc1cc2cc(C)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.42
AGXT P21549 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
CYP1A2 P05177 2/20 0.33
ADRB2 P07550 1/20 0.33
BACE1 P56817 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTPN1 P18031 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12490011 0.85 CYP2A6 (0.44) CYP2A6AGXTTRPM8CYP1A2ADRB2
SCHEMBL2095361 0.80 CYP2A6 (0.45) CYP2A6AGXTTRPM8CYP1A2ADRB2
SCHEMBL6958993 0.79 CYP2A6 (0.50) CYP2A6TRPM8CYP1A2ADRB2AKR1B1
SCHEMBL12489953 0.76 CYP2A6 (0.47) CYP2A6TRPM8CYP1A2ADRB2AKR1B1
SCHEMBL3463194 0.74 CYP2A6 (0.49) CYP2A6AGXTTRPM8CYP1A2ADRB2
SCHEMBL27759975 0.74 CYP2A6 (0.58) CYP2A6AGXTTRPM8CYP1A2ADRB2
SCHEMBL122572 0.74 CYP2A6 (0.58) CYP2A6TRPM8CYP1A2ADRB2AKR1B1
SCHEMBL826985 0.73 CYP2A6 (0.47) CYP2A6TRPM8CYP1A2AKR1B1PTPN1
SCHEMBL13329682 0.71 CYP2A6 (0.46) CYP2A6TRPM8CYP1A2ADRB2AKR1B1
SCHEMBL28221396 0.71 CYP2A6 (0.46) CYP2A6TRPM8CYP1A2ADRB2ASIC3

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-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed