SCHEMBL9505212

SCHEMBL9505212

CCCCCCCCCCCCOc1ccc(C(=O)CC(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
PLA2G4B P0C869 5/20 0.60
THRA P10827 4/20 0.59
THRB P10828 4/20 0.59
RARB P10826 3/20 0.57
PLA2G4A P47712 1/20 0.55
MMP1 P03956 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL8403564 1.00 TP53 (0.61) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL1436716 0.99 TP53 (0.59) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL31439624 0.97 TP53 (0.57) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL9172925 0.96 MMP1 (0.58) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL2866720 0.88 TP53 (0.73) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL8754539 0.87 THRA (0.65) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL1777728 0.87 ALDH1A1 (0.55) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL7913066 0.86 TP53 (0.70) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL11830013 0.85 NPC1 (0.62) PLA2G4BL3MBTL1
SCHEMBL18364697 0.84 L3MBTL1 (0.47) TP53TSHRPLA2G4BTHRATHRB

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-0296793-B1 COLOUR PHOTOGRAPHIC SILVER HALIDE MATERIALS AND PROCESS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-08-25 EP disclosed
EP-0296793-A2 Colour photographic silver halide materials and process EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-12-28 EP disclosed