SCHEMBL7793685

SCHEMBL7793685

CCCCNc1cccc(OCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.58
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.56
PLA2G4B P0C869 1/20 0.55
PTGER2 P43116 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
THRB P10828 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.47
FFAR1 O14842 1/20 0.47
F2R P25116 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7801091 0.96 PPARA (0.60) PPARAPPARGLMNAPKMHTT
SCHEMBL7802434 0.95 PPARA (0.62) PPARAPPARGLMNAPKMHTT
SCHEMBL7801099 0.92 MAPK1 (0.58) PPARAPPARGLMNAPKMHTT
SCHEMBL1116411 0.85 MAPK1 (0.61) PPARAPPARGLMNAPKMHTT
SCHEMBL11935001 0.84 MAPK1 (0.53) PPARAPPARGLMNAPKMHTT
SCHEMBL3209163 0.82 THRB (0.59) PLA2G4BTHRBALDH1A1MAPT
SCHEMBL28044727 0.82 CYP1A2 (0.49) LMNAPKMHTTMAPK1MTNR1A
SCHEMBL17090498 0.80 PKM (0.47) PPARAPPARGLMNAPKMHTT
SCHEMBL17089972 0.80 PKM (0.47) PPARAPPARGLMNAPKMHTT
SCHEMBL9169134 0.80 PLA2G4B (0.61) PPARAPPARGPLA2G4BTHRBTSHR

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