SCHEMBL9138425

SCHEMBL9138425

CC(=O)O[C@@H](C)[C@@]1(C)CC[C@H]2[C@H](C1C)[C@H](C#N)CC1=CC(=O)CC[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.44
▸ PGR P06401 7/20 0.40
▸ NR3C2 P08235 4/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SERPINA6 P08185 2/20 0.38
▸ SHBG P04278 2/20 0.37
▸ SLC22A1 O15245 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
SCHEMBL9138417 1.00 AR (0.44) ARPGRNR3C2MAPTCYP2C19
SCHEMBL9140431 0.88 AR (0.53) ARPGRNR3C2MAPTCYP2C19
SCHEMBL9140435 0.88 AR (0.53) ARPGRNR3C2MAPTCYP2C19
SCHEMBL9136995 0.81 SERPINA6 (0.52) ARPGRMAPTCYP2C19CYP3A4
SCHEMBL9136998 0.81 SERPINA6 (0.52) ARPGRMAPTCYP2C19CYP3A4
SCHEMBL9141520 0.75 AR (0.34) ARPGRNR3C2MAPTCYP2C19
SCHEMBL9141523 0.75 AR (0.34) ARPGRNR3C2MAPTCYP2C19
SCHEMBL10805580 0.74 AR (0.52) ARPGRMAPTCYP2C19CYP3A4
SCHEMBL9138297 0.73 AR (0.47) ARPGRNR3C2MAPTCYP2C19
SCHEMBL9138301 0.73 AR (0.47) ARPGRNR3C2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478862-A Having progestational activity with minimum ancillary hormonal activity; antiovulation agents SRI INTERNATIONAL (US) 1995-12-26 — — US disclosed
EP-0500899-B1 NOVEL 15,16-SECO-19-NOR PROGESTINS STANFORD RES INST INT (US) 1995-10-18 — — EP disclosed
US-5321044-A Ovulation suppression SRI INTERNATIONAL (US) 1994-06-14 — — US disclosed
US-5116865-A Antifertility Agents SRI INTERNATIONAL, A CORP OF CA 1992-05-26 — — US disclosed
WO-1992004309-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS SRI INTERNATIONAL (US) 1992-03-19 — — WO disclosed
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