SCHEMBL10627486

SCHEMBL10627486

CC[C@H]1CC[C@H]2[C@@H]3C=CC4=CCCC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.35
▸ PGR P06401 3/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NR3C2 P08235 2/20 0.33
▸ CYP19A1 P11511 4/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ SHBG P04278 1/20 0.30

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
SCHEMBL11675295 0.87 AR (0.33) ARPGRNR3C2
SCHEMBL10952489 0.74 ESR1 (0.59) ARPGRESR1CHRM2ACHE
SCHEMBL11511651 0.73 ESR1 (0.58) ARPGRESR1CHRM2ACHE
SCHEMBL1901373 0.72 ALDH1A1 (0.42) ARPGRCYP2C19CYP19A1CYP3A4
SCHEMBL10956513 0.72 SHBG (0.39) ARESR1CYP19A1CYP3A4GRIN1
SCHEMBL10955197 0.70 AR (0.42) ARPGRESR1CHRM2ACHE
SCHEMBL13474752 0.68 AR (0.49) ARPGRCYP2C19NR3C2CYP19A1
SCHEMBL29335494 0.68 AR (0.51) ARPGRCYP2C19NR3C2CYP19A1
SCHEMBL29335775 0.68 AR (0.51) ARPGRCYP2C19NR3C2CYP19A1
SCHEMBL2833823 0.68 AR (0.51) ARPGRCYP2C19NR3C2CYP19A1

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
US-4720357-A New process for manufacturing derivatives of 17 alpha-hydroxy 19-nor progesterone and novel intermediates for use therein LABORATOIRE THERAMEX (MC) 1988-01-19 — — US claimed
US-4720357-A New process for manufacturing derivatives of 17 alpha-hydroxy 19-nor progesterone and novel intermediates for use therein LABORATOIRE THERAMEX (MC) 1988-01-19 — — US disclosed
Send feedback