SCHEMBL12468550

SCHEMBL12468550

CC1(C)COC(c2ccc(-c3ccc(Br)s3)s2)OC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WRN Q14191 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SOAT1 P35610 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL14907591 0.90 RAB9A (0.36) WRNSMN1; SMN2NPC1RAB9ASOAT1
SCHEMBL12468489 0.82 SOAT1 (0.34) WRNSOAT1KDM4ETDP1
SCHEMBL12468484 0.81 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9ASOAT1
SCHEMBL13788344 0.80 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9ASOAT1
SCHEMBL12687044 0.79 ALDH1A1 (0.31) KDM4ETDP1
SCHEMBL12468465 0.78 CHRM2 (0.43) SMN1; SMN2NPC1RAB9AKDM4EPGR
SCHEMBL12180495 0.77 APP (0.47) SMN1; SMN2NPC1RAB9ASOAT1
SCHEMBL12468476 0.77 CHRM2 (0.43) SMN1; SMN2NPC1RAB9AKDM4EPGR
SCHEMBL12468310 0.77 CHRM2 (0.43) SMN1; SMN2NPC1RAB9AKDM4EPGR
SCHEMBL12468569 0.77 CHRM2 (0.43) SMN1; SMN2NPC1RAB9AKDM4EPGR

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
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 claimed
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