SCHEMBL11069259

SCHEMBL11069259

COC(=O)C(C)c1cc(C)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.49
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
TRPA1 O75762 2/20 0.43
CHRM1 P11229 2/20 0.43
LMNA P02545 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
CSNK2A1 P68400 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
HPGD P15428 2/20 0.40
KCNMA1 Q12791 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LPAR1 Q92633 2/20 0.39

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
SCHEMBL8960120 0.82 SMN1; SMN2 (0.45) MT-CO2TRPA1CHRM1LMNASLC6A2
SCHEMBL8960117 0.82 SMN1; SMN2 (0.45) MT-CO2TRPA1CHRM1LMNASLC6A2
SCHEMBL8321938 0.81 HPGD (0.47) MT-CO2TDP1TP53LMNAGAA
SCHEMBL12606507 0.79 ALDH1A1 (0.50) MT-CO2TDP1ALDH1A1PTGS2HPGD
SCHEMBL28968847 0.79 MT-CO2 (0.51) MT-CO2TDP1LMNAALDH1A1GAA
SCHEMBL16219339 0.78 MT-CO2 (0.41) MT-CO2PTGS1PTGS2HPGD
SCHEMBL2063733 0.78 LPAR1 (0.50) LPAR1
SCHEMBL10174511 0.77 SMN1; SMN2 (0.44) MT-CO2ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL31517035 0.77 GABRA1 (0.52) MT-CO2LMNAALDH1A1POLBPTGS1
SCHEMBL1345444 0.77 GABRA1 (0.52) MT-CO2LMNAALDH1A1POLBPTGS1

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
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed