SCHEMBL11269558

SCHEMBL11269558

CCCc1ccc(CCC(=O)Cn2ccnc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.58
TBXAS1 P24557 5/20 0.56
HMOX2 P30519 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL11266304 0.92 PLA2G4A (0.65) PLA2G4ATBXAS1
SCHEMBL8803778 0.91 TBXAS1 (0.56) PLA2G4ATBXAS1HMOX2ALDH1A1
SCHEMBL8804091 0.89 CYP19A1 (0.56) PLA2G4ATBXAS1HMOX2
Hydrochloric Acid SCHEMBL408146 0.87 TBXAS1 (0.57) PLA2G4ATBXAS1HMOX2
SCHEMBL10247518 0.87 CYP19A1 (0.59) PLA2G4ATBXAS1
SCHEMBL10247382 0.87 CYP11B1 (0.58) PLA2G4ATBXAS1HMOX2ALDH1A1
SCHEMBL11178893 0.86 PLA2G4A (0.72) PLA2G4ATBXAS1
SCHEMBL410653 0.86 CYP19A1 (0.58) PLA2G4ATBXAS1
SCHEMBL410492 0.86 HMOX1 (0.57) TBXAS1
SCHEMBL406793 0.86 TBXAS1 (0.59) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed