SCHEMBL14216532

SCHEMBL14216532

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@H]1C[C@@H]1C[C@@]12CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ABCB11 O95342 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SHBG P04278 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ NR3C1 P04150 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ CYP19A1 P11511 2/20 0.55
▸ SERPINA6 P08185 2/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ AR P10275 3/20 0.52
▸ NR3C2 P08235 2/20 0.52
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL14216528 0.84 AR (0.57) PGRCYP3A4LMNAALDH1A1SHBG
SCHEMBL11690298 0.81 SERPINA6 (0.58) PGRCYP3A4LMNAABCB11ALDH1A1
SCHEMBL13216473 0.76 CYP3A4 (0.64) PGRCYP3A4LMNAABCB11ALDH1A1
SCHEMBL11596660 0.76 CYP3A4 (0.64) PGRCYP3A4LMNAABCB11ALDH1A1
SCHEMBL11475742 0.76 CYP3A4 (0.64) PGRCYP3A4LMNAABCB11ALDH1A1
Normethandrone SCHEMBL23801610 0.76 PGR (0.73) PGRCYP3A4LMNAABCB11ALDH1A1
Normethandrone SCHEMBL148632 0.76 PGR (0.73) PGRCYP3A4LMNAABCB11ALDH1A1
Normethandrone SCHEMBL148631 0.76 PGR (0.73) PGRCYP3A4LMNAABCB11ALDH1A1
SCHEMBL10606405 0.75 PGR (0.60) PGRCYP3A4LMNAABCB11ALDH1A1
SCHEMBL11689567 0.74 PGR (0.58) PGRCYP3A4LMNAABCB11ALDH1A1

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
EP-1343806-B1 METHYLENE STEROIDS AS NOVEL ANDROGENS ORGANON NV (NL) 2008-05-28 — — EP disclosed
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