SCHEMBL12468465

SCHEMBL12468465

CC1(C)COC(c2ccc(-c3ccc(C=O)s3)s2)OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
DPP4 P27487 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
APP P05067 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PRF1 P14222 1/20 0.34
PGR P06401 1/20 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
SCHEMBL12468310 0.99 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12468476 0.99 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12468569 0.99 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12686997 0.81 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12468469 0.81 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL12468484 0.78 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL12468550 0.78 WRN (0.35) KDM4ESMN1; SMN2NPC1RAB9APGR
SCHEMBL13788344 0.77 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL12180495 0.73 APP (0.47) SMN1; SMN2APPNPC1RAB9APRF1
SCHEMBL16742752 0.73 CHRM2 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013076311-A1 ELECTROACTIVE SURFACTANT IMPROVED HYBRID BULK HETEROJUNCTION SOLAR CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2013-05-30 WO disclosed
EP-2597695-A1 Electroactive surfactant improved hybrid bulk heterojunction solar cells Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2013-05-29 EP disclosed
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