SCHEMBL11230658

SCHEMBL11230658

O=C1c2cc(-c3ccccc3)ccc2OCC1n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.40
CYP17A1 P05093 1/20 0.39
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35

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
SCHEMBL11233256 0.92 CYP17A1 (0.40) CYP19A1CYP17A1ADRA2AADRA2BADRA2C
SCHEMBL9529868 0.84 CYP19A1 (0.48) CYP19A1
SCHEMBL11227988 0.83 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2
SCHEMBL10894568 0.83 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2
SCHEMBL11230231 0.82 CYP19A1 (0.48) CYP19A1ADRA2AMEN1ALOX15KMT2A
SCHEMBL11231299 0.82 CYP19A1 (0.45) CYP19A1CYP17A1
SCHEMBL11241082 0.82 CYP19A1 (0.48) CYP19A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL11239544 0.81 TBXAS1 (0.45) CYP19A1
Bromide SCHEMBL11239402 0.81 CYP19A1 (0.44) CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL11236478 0.81 CYP19A1 (0.47) CYP19A1MEN1KMT2ACYP11B1CYP11B2

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