SCHEMBL27782467

SCHEMBL27782467

CCOC(=O)c1cc2cccc(CCCCCO)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL28944811 0.99 RAB9A (0.51) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28784003 0.95 RAB9A (0.52) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29291197 0.87 RAB9A (0.51) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27782459 0.86 KDM4E (0.50) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5685113 0.85 CDK1 (0.59) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27804108 0.85 CDK1 (0.49) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4045458 0.85 RAB9A (0.59) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27804111 0.82 RAB9A (0.51) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2455047 0.79 KDM4E (0.53) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31501839 0.78 KDM4E (0.61) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2

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
CN-101743224-A 7-substituted indole mcl-1 inhibitors ABBOTT LAB 2010-06-16 CN disclosed