SCHEMBL9123088

SCHEMBL9123088

CCOC(=O)CCCc1cncn1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 12/20 0.67
▸ CYP11B2 P19099 12/20 0.67
▸ TBXAS1 P24557 2/20 0.53
▸ ALOX5 P09917 1/20 0.49
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ PGGT1B P53609 1/20 0.42

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
SCHEMBL9642301 0.93 CYP11B1 (0.77) CYP11B1CYP11B2TBXAS1ALOX5MEN1
SCHEMBL6776094 0.85 CYP11B1 (0.62) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9092962 0.83 CYP11B1 (0.72) CYP11B1CYP11B2TBXAS1
SCHEMBL2531890 0.82 CYP11B1 (0.52) CYP11B1CYP11B2TBXAS1ALOX5MEN1
SCHEMBL9642312 0.80 CYP11B1 (1.00) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9092547 0.78 CYP11B1 (0.73) CYP11B1CYP11B2TBXAS1
SCHEMBL9642002 0.78 CYP11B1 (0.69) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL260297 0.76 ALOX5 (0.76) ALOX5KMT2AFAAHCYP4F2CYP4A11
SCHEMBL27306308 0.75 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL9092259 0.75 CYP11B1 (0.68) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439928-A Enzyme inhibitors as antitumor agents for breast cancer ORION-YHTYMA OY (FI) 1995-08-08 — — US disclosed
EP-0390558-B1 Aromatase inhibiting 4(5)-imidazoles ORION YHTYMAE OY (FI) 1994-09-07 — — EP disclosed
CN-1068819-A New selectivity aromatics enzyme suppresses 4 (5)-imidazoles ORION YHTYMAE OY (FI) 1993-02-10 — — CN disclosed
EP-0390558-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1990-10-03 — — EP disclosed
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