SCHEMBL7738975

SCHEMBL7738975

CCCCc1ccc2c(c1)OC(C)(C)C=C2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.44
CNR2 P34972 4/20 0.39
CYP1A2 P05177 2/20 0.38
CNR1 P21554 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.38
CYP2J2 P51589 1/20 0.38
CYP1B1 Q16678 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TRPV2 Q9Y5S1 1/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL20843791 0.74 CNR2 (0.56) CNR2CYP1A2CNR1TRPA1CYP1A1
SCHEMBL31545074 0.74 CNR2 (0.56) CNR2CYP1A2CNR1TRPA1CYP1A1
SCHEMBL22924626 0.73 TDP1 (0.43) SKP2CNR2CYP1A2CNR1TRPA1
SCHEMBL9588857 0.71 ALOX15 (0.48) SKP2CNR2CYP1A2CNR1TRPA1
SCHEMBL15995243 0.69 CNR2 (0.69) CNR2CYP1A2CNR1TRPA1CYP1A1
SCHEMBL29511351 0.69 CNR2 (0.69) CNR2CYP1A2CNR1TRPA1CYP1A1
SCHEMBL30209175 0.69 CNR2 (0.69) CNR2CYP1A2CNR1TRPA1CYP1A1
SCHEMBL7071108 0.68 ALDH1A1 (0.73) SKP2CYP1A2MAPK1HPGDCYP3A4
SCHEMBL19543322 0.67 LPL (0.48) SKP2CNR2CYP1A2CNR1TRPA1
SCHEMBL25516021 0.67 SKP2 (0.42) SKP2CNR2SLC6A2SLC6A4NPC1

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-6410678-B1 HYDROXYL END GROUPS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
EP-1149852-A1 AROMATIC POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE TEIJIN LIMITED (JP) 2001-10-31 EP disclosed