SCHEMBL8468641

SCHEMBL8468641

CCCCCCCCC1(c2ccccc2Oc2ccc(N)cc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CYP19A1 P11511 5/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 2/20 0.34
LTA4H P09960 1/20 0.34
CETP P11597 2/20 0.34

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
SCHEMBL8575963 1.00 CNR1 (0.38) CNR1CNR2CYP19A1NCOA1NCOA3
SCHEMBL8578762 1.00 CNR1 (0.38) CNR1CNR2CYP19A1NCOA1NCOA3
SCHEMBL8578783 0.99 CNR1 (0.37) CNR1CNR2CYP19A1NCOA1NCOA3
SCHEMBL8579676 0.95 NCOA1 (0.38) CNR1CNR2CYP19A1NCOA1NCOA3
SCHEMBL8578739 0.90 NCOA1 (0.39) NCOA1NCOA3SLC6A2SLC6A3SLC6A4
SCHEMBL5679008 0.85 CNR1 (0.39) CNR1CNR2CYP19A1CYP1A2CYP2C9
SCHEMBL8468975 0.85 SLC6A3 (0.41) NCOA1NCOA3SLC6A2SLC6A3SLC6A4
SCHEMBL10612019 0.79 CNR1 (0.43) CNR1CNR2SLC6A2SLC6A3SLC6A4
SCHEMBL8945190 0.77 CNR1 (0.39) CNR1CNR2CYP19A1SLC6A2SLC6A3
SCHEMBL8945298 0.77 CNR1 (0.39) CNR1CNR2CYP19A1SLC6A2SLC6A3

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-5907005-A SUITABLE FOR PRODUCING A LIQUID CRYSTAL ALIGNING FILM WITH SPECIFIC THICKNESS CONSISTS OF POLYAMIC ACID OR POLYIMIDE, AND A SOLVENT CONSISTS OF N-METHYL-PYRROLIDONE AND DIMETHYL IMIDAZOLIDINONE, AN ALKYL LACTATE AND AN ETHER CHISSO CORPORATION (JP) 1999-05-25 US disclosed
US-5798810-A RUBBING, IRRADIATING AND SEALING CHISSO CORPORATION (JP) 1998-08-25 US disclosed