SCHEMBL11230668

SCHEMBL11230668

COc1ccc2c(c1)OCC(n1ccnc1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.51
PTPN1 P18031 1/20 0.48
CYP3A4 P08684 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.39
MAOB P27338 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL10893708 0.92 CYP19A1 (0.54) CYP19A1PTPN1CYP3A4MAPTSMN1; SMN2
SCHEMBL11239540 0.87 CYP19A1 (0.39) CYP19A1PTPN1CYP3A4MAPTSMN1; SMN2
SCHEMBL11229062 0.81 CYP19A1 (0.38) CYP19A1PTPN1CYP3A4TP53CYP11B1
SCHEMBL11231221 0.81 CYP19A1 (0.48) CYP19A1PTPN1ALOX12MAOB
SCHEMBL11226045 0.81 CYP19A1 (0.40) CYP19A1LMNAMAOBCYP11B1CYP11B2
SCHEMBL11228994 0.81 CYP19A1 (0.41) CYP19A1PTPN1MAPTSMN1; SMN2MEN1
Bromide SCHEMBL11229202 0.81 CYP19A1 (0.47) CYP19A1PTPN1ALOX12MAOB
SCHEMBL10856640 0.81 CYP19A1 (0.52) CYP19A1PTPN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9529868 0.80 CYP19A1 (0.48) CYP19A1MAOB
SCHEMBL10855526 0.79 CYP19A1 (0.54) CYP19A1PTPN1MAPTSMN1; SMN2ALDH1A1

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