SCHEMBL9737769

SCHEMBL9737769

O=C(CC(=O)Oc1ccc(Cc2ccccc2)cc1)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.52
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
SRD5A2 P31213 1/20 0.51
CYP19A1 P11511 1/20 0.50
ELANE P08246 1/20 0.50
LIPE Q05469 1/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
PLA2G10 O15496 1/20 0.48
PLA2G2A P14555 1/20 0.48
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
Malonic Acid SCHEMBL8752798 0.95 LTA4H (0.49) LTA4HPPARGPPARASRD5A2CYP19A1
SCHEMBL3404040 0.87 PPARG (0.54) LTA4HPPARGPPARASRD5A2CYP19A1
SCHEMBL5478152 0.84 LTA4H (0.55) LTA4HPPARGPPARASRD5A2ELANE
SCHEMBL6224844 0.84 LTA4H (0.55) LTA4HPPARGPPARASRD5A2ELANE
SCHEMBL153387 0.83 CYP19A1 (0.55) CYP19A1ELANEKMT2AHPGDLMNA
SCHEMBL8060201 0.82 SRD5A2 (0.58) LTA4HPPARGPPARASRD5A2CYP19A1
SCHEMBL11495143 0.81 CYP19A1 (0.53) CYP19A1ELANEKMT2AHPGDLMNA
SCHEMBL2052989 0.81 CYP19A1 (0.53) CYP19A1ELANEKMT2AHPGDLMNA
SCHEMBL2141580 0.81 CYP19A1 (0.53) CYP19A1ELANEKMT2AHPGDLMNA
SCHEMBL5470669 0.81 CYP19A1 (0.53) CYP19A1ELANEKMT2AHPGDLMNA

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-0245836-B1 THERMOSENSITIVE RECORDING SHEET DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-07-22 EP disclosed
EP-0245836-A2 Thermosensitive recording sheet DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-11-19 EP disclosed