SCHEMBL8775491

SCHEMBL8775491

Cc1ccc(C(=O)C(C)CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
ADRA2B P18089 1/20 0.53
DRD3 P35462 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
ALDH1A1 P00352 6/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SRD5A2 P31213 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL10353455 0.92 HDAC3 (0.49) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL7325551 0.85 LMNA (0.53) LMNACES2SLC6A2SLC6A3SRD5A2
SCHEMBL8823315 0.84 PGR (0.52) ADRA2BALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL135357 0.84 PGR (0.52) ADRA2BALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8381806 0.83 MAPT (0.44) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL2555527 0.83 MMP2 (0.48) DRD3LMNAKMT2ACES2CES1
SCHEMBL7268544 0.83 CES2 (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2CES2
SCHEMBL8381804 0.83 MAPT (0.44) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL7317108 0.83 MMP2 (0.47) ALDH1A1CES2CES1NPC1RAB9A
Hydrochloric Acid SCHEMBL20138841 0.81 MAPT (0.43) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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
JP-9143104-A None JP disclosed
EP-0496555-B1 Corrosion-inhibiting coating compositions CIBA GEIGY AG (CH) 1997-11-19 EP disclosed
JP-H09143104-A PRODUCTION OF 2,6-DIMETHYLNAPHTHALENE AND 2,7-DIMETHYLNAPHTHALENE, AND PRODUCTION OF THEIR INTERMEDIATE COSMO SOGO KENKYUSHO:KK 1997-06-03 JP disclosed
US-5277709-A Film forming binder and corrosion inhibitor CIBA-GEIGY CORPORATION (US) 1994-01-11 US disclosed
EP-0496555-A2 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1992-07-29 EP disclosed