SCHEMBL11266038

SCHEMBL11266038

CCCCc1ccc(C(=O)CCn2ccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.62
PLA2G4A P47712 1/20 0.51
CYP19A1 P11511 2/20 0.50
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HMOX1 P09601 1/20 0.49

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
SCHEMBL11261684 0.94 TBXAS1 (0.64) TBXAS1PLA2G4ACYP19A1MAPK1SMN1; SMN2
SCHEMBL9850492 0.87 TBXAS1 (0.56) TBXAS1CYP19A1SMN1; SMN2
SCHEMBL11255655 0.85 TBXAS1 (0.56) TBXAS1PLA2G4ACYP19A1HMOX1
SCHEMBL11375367 0.84 TBXAS1 (0.64) TBXAS1CYP19A1HMOX1
SCHEMBL10999217 0.82 TBXAS1 (0.74) TBXAS1CYP19A1
SCHEMBL11265550 0.81 TBXAS1 (0.57) TBXAS1PLA2G4ACYP19A1HMOX1
SCHEMBL10996907 0.81 TBXAS1 (0.68) TBXAS1HMOX1
SCHEMBL11257445 0.81 TBXAS1 (0.58) TBXAS1CYP19A1
SCHEMBL10996120 0.80 TBXAS1 (0.67) TBXAS1HMOX1
SCHEMBL10998799 0.80 TBXAS1 (0.67) TBXAS1HMOX1

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