SCHEMBL7793547

SCHEMBL7793547

COc1ccc2c(c1)O/C(=C1/Oc3cc(OC)ccc3C1=O)C2=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 3/20 0.58
NPC1 O15118 2/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTGS2 P35354 1/20 0.56
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 1/20 0.54
TYR P14679 1/20 0.51
KIT P10721 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 1/20 0.46

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
SCHEMBL7793551 1.00 MAOB (0.60) MAOBRAB9AKDM4ENPC1MAPT
SCHEMBL7793555 0.89 RAB9A (0.52) MAOBRAB9AKDM4ENPC1MAPT
SCHEMBL7799187 0.89 RAB9A (0.52) MAOBRAB9AKDM4ENPC1MAPT
SCHEMBL8582883 0.77 PTGS2 (0.55) MAOBRAB9AKDM4ENPC1MAPT
SCHEMBL19462722 0.76 MAOB (0.87) MAOBRAB9AKDM4ENPC1MAPT
SCHEMBL26767255 0.75 METAP1 (0.54) MAOBRAB9AKDM4ENPC1MAPT
SCHEMBL16334358 0.74 MAOB (0.51) MAOBKDM4ESMN1; SMN2PTGS2ALDH1A1
SCHEMBL6427553 0.74 MAOB (0.84) MAOBRAB9AKDM4ENPC1PTGS2
SCHEMBL6427555 0.74 MAOB (0.84) MAOBRAB9AKDM4ENPC1PTGS2
SCHEMBL19789802 0.73 MAOB (0.47) MAOBRAB9AKDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900255-B1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SC HOLDING AG (CH) 2001-12-19 EP disclosed
US-6156914-A Donor-substituted oxindigo derivatives and their use as colorants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-05 US disclosed
EP-0900255-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS Ciba SC Holding AG (CH) 1999-03-10 EP disclosed
WO-1997041176-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-06 WO disclosed