SCHEMBL11690298

SCHEMBL11690298

CC(=O)[C@@]12CC1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 2/20 0.58
▸ PGR P06401 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ ABCB11 O95342 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ NR3C1 P04150 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SHBG P04278 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ CYP19A1 P11511 2/20 0.56
▸ AR P10275 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ CHRM1 P11229 1/20 0.56

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
SCHEMBL11689567 0.84 PGR (0.58) SERPINA6PGRCYP3A4ABCB11LMNA
Gestonorone SCHEMBL19834940 0.82 CYP3A4 (0.67) SERPINA6PGRCYP3A4ABCB11LMNA
Gestonorone SCHEMBL141624 0.82 CYP3A4 (0.67) SERPINA6PGRCYP3A4ABCB11LMNA
Gestonorone SCHEMBL17831152 0.82 CYP3A4 (0.67) SERPINA6PGRCYP3A4ABCB11LMNA
Gestonorone SCHEMBL17831151 0.82 CYP3A4 (0.67) SERPINA6PGRCYP3A4ABCB11LMNA
Gestonorone SCHEMBL20488186 0.82 CYP3A4 (0.67) SERPINA6PGRCYP3A4ABCB11LMNA
SCHEMBL14216532 0.81 PGR (0.55) SERPINA6PGRCYP3A4ABCB11LMNA
SCHEMBL10890999 0.78 PGR (0.64) SERPINA6PGRCYP3A4ABCB11LMNA
SCHEMBL8853803 0.78 PGR (0.64) SERPINA6PGRCYP3A4ABCB11LMNA
SCHEMBL8769763 0.77 SERPINA6 (0.54) SERPINA6PGRCYP3A4ABCB11LMNA

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-4056633-A D-homo-20-ketopregnanes and method for inducing anesthesia or narcosis SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-01 — — US disclosed
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