SCHEMBL9589809

SCHEMBL9589809

CCCCc1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.65
LTA4H P09960 2/20 0.56
ALOX15 P16050 3/20 0.51
PTGS1 P23219 1/20 0.50
AKT1 P31749 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
CCR5 P51681 3/20 0.48
CFD P00746 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL178978 0.91 TRPV1 (0.58) TRPV1LTA4HALOX15PTGS1AKT1
SCHEMBL9588895 0.90 TRPV1 (0.60) TRPV1LTA4HALOX15PTGS1AKT1
SCHEMBL178977 0.88 TRPV1 (0.57) TRPV1LTA4HALOX15PTGS1AKT1
SCHEMBL15549411 0.85 ALOX15 (0.65) TRPV1LTA4HALOX15PPARGPPARA
SCHEMBL15548241 0.84 ALOX15 (0.68) TRPV1LTA4HALOX15PPARGPPARA
SCHEMBL17253827 0.83 CYP4F2 (0.54) TRPV1LTA4HALOX15PTGS1AKT1
SCHEMBL108828 0.83 TRPV1 (0.51) TRPV1LTA4HPTGS1AKT1ALDH1A1
SCHEMBL9751110 0.83 TRPV1 (0.48) TRPV1LTA4HALOX15PPARGPPARA
SCHEMBL107425 0.83 TRPV1 (0.51) TRPV1LTA4HPTGS1AKT1ALDH1A1
SCHEMBL15559089 0.83 ALOX15 (0.74) TRPV1LTA4HALOX15PPARGPPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214034-A Improved secretion of nerve growth factor MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-05-25 US disclosed
US-5102906-A Alzheimer*s disease MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-04-07 US disclosed
EP-0261977-B1 CATECHOL DERIVATIVES, AND PREVENTIVE AND REMEDIAL PREPARATIONS FOR REGRESSIVE DISORDERS IN THE CENTRAL NERVOUS SYSTEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-04 EP disclosed
US-4985458-A TREATMENT OF ALZHEIMER*S DISEASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-15 US disclosed
EP-0261977-A2 Catechol derivatives, and preventive and remedial preparations for regressive disorders in the central nervous system MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-30 EP disclosed