SCHEMBL11927944

SCHEMBL11927944

CCC(C)(CC)Cc1ccc2c(c1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ PRKCI P41743 1/20 0.41

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
SCHEMBL19821668 0.88 RAB9A (0.42) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL10254340 0.85 RAB9A (0.45) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL1276487 0.83 RAB9A (0.46) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL7670563 0.83 PRKCI (0.45) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL28348850 0.83 RAB9A (0.46) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL14015076 0.81 RAB9A (0.44) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL30965 0.80 KDM4E (0.51) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL14000463 0.79 RAB9A (0.43) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL18601204 0.78 ALOX5 (0.44) RAB9ATAS1R3TAS1R1KDM1AMAOA
SCHEMBL8276391 0.76 CTNNB1 (0.43) RAB9AKDM1AMAOAMAOBNPC1

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
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 — — US disclosed
Send feedback