SCHEMBL9364127

SCHEMBL9364127

Cc1ccc(S(=O)(=O)O)cc1CCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PPARG P37231 1/20 0.43
CACNA1B Q00975 2/20 0.42
PPARA Q07869 1/20 0.41
PTGER4 P35408 1/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.40
SOS1 Q07889 1/20 0.40

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
SCHEMBL9773406 0.95 CA12 (0.43) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL11022255 0.85 MEN1 (0.44) LMNA
SCHEMBL6605344 0.85 TDP1 (0.42) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL6605334 0.82 CA12 (0.43) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL9773547 0.82 CA12 (0.57) HTTCA12CA1CA2CA7
SCHEMBL9010034 0.78 PTGS2 (0.38) LMNATDP1
SCHEMBL9428238 0.78 FFAR4 (0.46) HTTSMN1; SMN2LTA4HPPARGPPARA
SCHEMBL1109910 0.77 ALDH1A1 (0.40) HTTSMN1; SMN2LMNA
SCHEMBL872698 0.77 ALDH1A1 (0.38) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL1619491 0.77 MAPT (0.47) CACNA1BPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388665-B1 Substituted N-hydroxypyrazoles and N-hydroxy-triazoles and their use in combatting parasites BASF AG (DE) 1994-04-27 EP disclosed
US-5280036-A Containing 4h-1,24-triazole ring BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
US-5214064-A Insecticides, nematocides, miticides BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5187182-A Insecticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5185359-A N-phenoxphenyloxymethyl substituted azoles and method for controlling pests therewith BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5173501-A Nematocides, insecticides BASF AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-5116860-A N-SUBSTITUTED AZOLES FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
EP-0388665-A1 Substituted N-hydroxypyrazoles and N-hydroxy-triazoles and their use in combatting parasites BASF Aktiengesellschaft (DE) 1990-09-26 EP disclosed
US-4943585-A N-substituted azoles and insecticide, arachnicide, and nematocide compositions thereof BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed