SCHEMBL11228903

SCHEMBL11228903

O=C1c2cc(Cl)c(O)cc2OCC1n1ccnc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.35
CYP19A1 P11511 5/20 0.35
ALOX15 P16050 2/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL11237282 0.85 CYP19A1 (0.37) ALOX12CYP19A1ALOX15
Hydrochloric Acid SCHEMBL11221160 0.84 CYP19A1 (0.36) ALOX12CYP19A1ALOX15
SCHEMBL10894568 0.82 CYP19A1 (0.49) CYP19A1MAOB
SCHEMBL11239412 0.82 HSP90AA1 (0.38) ALOX12CYP19A1ALOX15
SCHEMBL11230868 0.82 CYP19A1 (0.33) ALOX12CYP19A1ALOX15
SCHEMBL11231299 0.81 CYP19A1 (0.45) ALOX12CYP19A1MAOB
Hydrochloric Acid SCHEMBL11229170 0.81 ALOX12 (0.33) ALOX12CYP19A1ALOX15
SCHEMBL11240152 0.81 ALOX12 (0.34) ALOX12CYP19A1ALOX15
Bromide SCHEMBL11239402 0.81 CYP19A1 (0.44) ALOX12CYP19A1MAOB
SCHEMBL11231221 0.80 CYP19A1 (0.48) ALOX12CYP19A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US claimed
US-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US disclosed