SCHEMBL16937732

SCHEMBL16937732

O=C1C=C2CCC3C(CC[C@]4(CCBr)C(=O)CCC34)C2CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.62
▸ SHBG P04278 3/20 0.53
▸ SERPINA6 P08185 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP3A4 P08684 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ PGR P06401 4/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ ABCB11 O95342 3/20 0.46
▸ AR P10275 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NR3C1 P04150 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL11755439 0.88 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6832274 0.85 CYP19A1 (0.65) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11629995 0.85 CYP19A1 (0.69) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL22845080 0.85 CYP19A1 (0.69) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL1422567 0.85 CYP19A1 (0.69) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL16661457 0.85 CYP19A1 (0.69) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL3182567 0.85 CYP19A1 (0.69) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL20851687 0.85 CYP19A1 (0.69) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL1423498 0.85 CYP19A1 (0.59) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL16937761 0.79 CYP19A1 (0.54) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1

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-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 — — US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 — — US disclosed
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