SCHEMBL12686997

SCHEMBL12686997

CC1COC(c2ccc(-c3ccc(C=O)s3)s2)OC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 1/20 0.35
PRF1 P14222 1/20 0.35
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 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
SCHEMBL12468465 0.81 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12468569 0.80 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12468310 0.80 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12468476 0.80 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12687044 0.77 ALDH1A1 (0.31) KDM4EALDH1A1
SCHEMBL16742752 0.74 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16142361 0.72 DPP4 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL278904 0.71 DPP4 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8587613 0.69 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL607254 0.69 DPP4 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012049167-A1 NOVEL OLIGOTHIOPHENE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USES UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2012-04-19 WO disclosed