SCHEMBL9340441

SCHEMBL9340441

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CC(=O)O)[C@@H]21

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.59
▸ PGR P06401 9/20 0.59
▸ NR3C2 P08235 4/20 0.59
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ABCB11 O95342 2/20 0.50
▸ SHBG P04278 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ SLC6A4 P31645 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
SCHEMBL24476181 0.89 AR (0.62) ARPGRNR3C2LMNACYP3A4
SCHEMBL6467275 0.89 AR (0.62) ARPGRNR3C2LMNACYP3A4
SCHEMBL6467277 0.89 AR (0.62) ARPGRNR3C2LMNACYP3A4
SCHEMBL11141431 0.89 AR (0.62) ARPGRNR3C2LMNACYP3A4
SCHEMBL24476182 0.85 AR (0.63) ARPGRNR3C2LMNACYP3A4
SCHEMBL24476344 0.84 AR (0.55) ARPGRNR3C2LMNACYP3A4
Mibolerone SCHEMBL565277 0.84 AR (0.67) ARPGRNR3C2LMNACYP3A4
Mibolerone SCHEMBL4362587 0.84 AR (0.67) ARPGRNR3C2LMNACYP3A4
Mibolerone SCHEMBL14275154 0.84 AR (0.67) ARPGRNR3C2LMNACYP3A4
Mibolerone SCHEMBL10603681 0.84 AR (0.67) ARPGRNR3C2LMNACYP3A4

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-5342834-A Administering testosterone derivatives THE POPULATION COUNCIL, INC. (US) 1994-08-30 — — US disclosed
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