SCHEMBL7793555

SCHEMBL7793555

COc1ccc2c(c1)OC(=C1OC(=O)c3ccc(OC)cc31)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
MAOB P27338 6/20 0.51
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
PTGS2 P35354 1/20 0.48
TYR P14679 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
STK17B O94768 1/20 0.42
IDO1 P14902 2/20 0.42
NQO1 P15559 1/20 0.42
POR P16435 1/20 0.42

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
SCHEMBL7799187 1.00 RAB9A (0.52) RAB9AMAOBKDM4ENPC1MAPT
SCHEMBL7793547 0.89 MAOB (0.60) RAB9AMAOBKDM4ENPC1MAPT
SCHEMBL7793551 0.89 MAOB (0.60) RAB9AMAOBKDM4ENPC1MAPT
SCHEMBL383503 0.77 CA2 (0.52) RAB9AMAOBKDM4ENPC1MAPT
SCHEMBL7799402 0.73 MAOB (0.41) RAB9AMAOBKDM4EMAPTSMN1; SMN2
SCHEMBL7793695 0.73 MAOB (0.41) RAB9AMAOBKDM4EMAPTSMN1; SMN2
SCHEMBL7793689 0.73 MAOB (0.41) RAB9AMAOBKDM4EMAPTSMN1; SMN2
SCHEMBL7802429 0.71 ALDH1A1 (0.46) RAB9AMAOBKDM4ENPC1MAPT
SCHEMBL7801121 0.71 ALDH1A1 (0.46) RAB9AMAOBKDM4ENPC1MAPT
SCHEMBL7803302 0.71 ALDH1A1 (0.46) RAB9AMAOBKDM4ENPC1MAPT

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
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