SCHEMBL7138349

SCHEMBL7138349

CCC12CC[C@@H]3[C@@H]4C(=CC(=O)CC4C)CC[C@H]3C1=C(C)CC2O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 4/20 0.44
▸ AR P10275 8/20 0.39
▸ SLC22A1 O15245 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SERPINA6 P08185 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PGR P06401 7/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ ESR1 P03372 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NR3C2 P08235 2/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ CYP19A1 P11511 2/20 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
SCHEMBL7138348 1.00 SHBG (0.44) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL6569049 0.86 SHBG (0.55) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL7139758 0.86 SHBG (0.55) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL7139757 0.86 SHBG (0.55) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL6569048 0.86 SHBG (0.55) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL6569593 0.73 SHBG (0.65) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL7141591 0.73 SHBG (0.65) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL6570215 0.68 SHBG (0.51) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL5550822 0.67 SHBG (0.65) SHBGARSLC22A1ALDH1A1SERPINA6
SCHEMBL3225293 0.67 SHBG (0.65) SHBGARSLC22A1ALDH1A1SERPINA6

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
EP-1343804-A1 14(15)-UNSATURATED 15- AND/OR 16- SUBSTITUTED ANDROGENS WITH MIXED ANDROGEN-PROGESTATIONAL PROFILE Akzo Nobel N.V. (NL) 2003-09-17 — — EP disclosed
WO-2002048169-A1 14(15)-UNSATURATED 15- AND/OR 16- SUBSTITUTED ANDROGENS WITH MIXED ANDROGEN-PROGESTATIONAL PROFILE AKZO NOBEL N.V. (NL) 2002-06-20 — — WO disclosed
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