SCHEMBL10606405

SCHEMBL10606405

C[C@H](O)[C@@]1(CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ ABCB11 O95342 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ NR3C1 P04150 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ SHBG P04278 2/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ AR P10275 2/20 0.56
▸ NR3C2 P08235 1/20 0.56
▸ MAPT P10636 2/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ TBXA2R P21731 1/20 0.54

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
SCHEMBL13216473 0.80 CYP3A4 (0.64) PGRCYP3A4ABCB11LMNACYP2C19
Normethandrone SCHEMBL23801610 0.79 PGR (0.73) PGRCYP3A4ABCB11LMNACYP2C19
Normethandrone SCHEMBL148631 0.79 PGR (0.73) PGRCYP3A4ABCB11LMNACYP2C19
Normethandrone SCHEMBL148632 0.79 PGR (0.73) PGRCYP3A4ABCB11LMNACYP2C19
SCHEMBL5686321 0.78 CYP3A4 (0.65) PGRCYP3A4ABCB11LMNACYP2C19
SCHEMBL7596049 0.78 CYP3A4 (0.65) PGRCYP3A4ABCB11LMNACYP2C19
SCHEMBL5683159 0.78 CYP3A4 (0.65) PGRCYP3A4ABCB11LMNACYP2C19
Norethandrolone SCHEMBL147638 0.78 LMNA (0.71) PGRCYP3A4ABCB11LMNACYP2C19
Norethandrolone SCHEMBL23801611 0.78 LMNA (0.71) PGRCYP3A4ABCB11LMNACYP2C19
SCHEMBL24476256 0.78 CYP3A4 (0.70) PGRCYP3A4ABCB11LMNACYP2C19

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
EP-0152429-B1 PROGESTATIONALLY ACTIVE STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 1989-10-11 — — EP disclosed
EP-0152429-A4 PROGESTATIONALLY ACTIVE STEROIDS. RES TRIANGLE INST (US) 1985-12-05 — — EP disclosed
EP-0152429-A1 PROGESTATIONALLY ACTIVE STEROIDS. RES TRIANGLE INST (US) 1985-08-28 — — EP disclosed
US-4512986-A FERTILITY CONTROL RESEARCH TRIANGLE INSTITUTE (US) 1985-04-23 — — US disclosed
WO-1985000609-A1 PROGESTATIONALLY ACTIVE STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 1985-02-14 — — WO disclosed
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