SCHEMBL7801094

SCHEMBL7801094

CCCOC(=O)COc1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
PPARA Q07869 2/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 1/20 0.50
PLA2G4B P0C869 2/20 0.45
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL7793679 0.92 TSHR (0.64) TSHRCYP3A4TP53PPARAPPARG
SCHEMBL7801086 0.90 TSHR (0.71) TSHRCYP3A4TP53PPARAKMT2A
SCHEMBL7802428 0.89 TSHR (0.74) TSHRCYP3A4TP53PPARAPPARG
SCHEMBL29577774 0.88 TP53 (0.62) TSHRCYP3A4TP53PPARAPPARG
SCHEMBL655678 0.88 TP53 (0.62) TSHRCYP3A4TP53PPARAPPARG
SCHEMBL14885541 0.82 PPARA (0.60) TSHRPPARAKMT2APPARGPLA2G4B
SCHEMBL993788 0.82 TSHR (0.77) TSHRCYP3A4TP53KMT2AMAOB
SCHEMBL217079 0.81 CYP3A4 (0.56) TSHRCYP3A4TP53KMT2AMAOB
SCHEMBL4563082 0.81 ALOX15 (0.55) TSHRCYP3A4TP53KMT2AALDH1A1
SCHEMBL11782480 0.80 PPARA (0.51) PPARAKMT2APPARGPLA2G4BMAOB

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