SCHEMBL11140879

SCHEMBL11140879

C=C1C[C@]2(CC)C(=O)C[C@H](O)[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.52
▸ AR P10275 6/20 0.52
▸ SHBG P04278 5/20 0.52
▸ ESR1 P03372 4/20 0.52
▸ OPRM1 P35372 3/20 0.52
▸ SERPINA6 P08185 2/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NR3C1 P04150 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ NR3C2 P08235 1/20 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
SCHEMBL11146210 0.84 PGR (0.47) PGRARSHBGESR1OPRM1
SCHEMBL9547768 0.84 SHBG (0.47) PGRARSHBGESR1OPRM1
SCHEMBL14946855 0.81 PGR (0.57) PGRARSHBGESR1OPRM1
SCHEMBL20851698 0.81 PGR (0.57) PGRARSHBGESR1OPRM1
SCHEMBL9194138 0.81 PGR (0.57) PGRARSHBGESR1OPRM1
SCHEMBL2318050 0.81 CYP19A1 (0.51) PGRARSHBGESR1OPRM1
SCHEMBL16661465 0.81 CYP19A1 (0.51) PGRARSHBGESR1OPRM1
SCHEMBL1421923 0.81 CYP19A1 (0.51) PGRARSHBGESR1OPRM1
SCHEMBL9327894 0.81 CYP19A1 (0.51) PGRARSHBGESR1OPRM1
SCHEMBL11047537 0.77 SHBG (0.38) PGRARSHBGESR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4371529-A INHIBITION OF OVULATION SCHERING, AKTIENGESELLSCHAFT (DE) 1983-02-01 — — US disclosed
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