SCHEMBL7801099

SCHEMBL7801099

CCCNc1cccc(OCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
PTGER2 P43116 1/20 0.54
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
PLA2G4B P0C869 1/20 0.51
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
ALOX15 P16050 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN7 P35236 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PTPN12 Q05209 1/20 0.49

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
SCHEMBL7793685 0.92 PPARA (0.58) MAPK1LMNAPKMHTTPTGER2
SCHEMBL7801091 0.90 PPARA (0.60) MAPK1LMNAPKMHTTPTGER2
SCHEMBL7802434 0.89 PPARA (0.62) MAPK1LMNAPKMHTTPTGER2
SCHEMBL1116411 0.88 MAPK1 (0.61) MAPK1LMNAPKMHTTPTGER2
SCHEMBL12017469 0.81 MAPK1 (0.64) MAPK1LMNAPKMHTTPTGER2
SCHEMBL11935001 0.81 MAPK1 (0.53) MAPK1LMNAPKMHTTPTGER2
SCHEMBL3196523 0.80 ALDH1A1 (0.58) MAPK1LMNAHTTNPC1SMN1; SMN2
SCHEMBL3209772 0.79 HPGD (0.53) LMNAPKMHTTNPC1SMN1; SMN2
SCHEMBL3209163 0.79 THRB (0.59) PLA2G4BMAPTALDH1A1
SCHEMBL3951459 0.79 NPC1 (0.76) MAPK1LMNAPKMHTTNPC1

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