SCHEMBL7885022

SCHEMBL7885022

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC(C)(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.58
▸ CYP2C19 P33261 5/20 0.58
▸ NR3C1 P04150 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ HIF1A Q16665 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ SHBG P04278 2/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ SERPINA6 P08185 1/20 0.55
▸ MAPK3 P27361 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP3A4 P08684 5/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ PGR P06401 4/20 0.49

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
Gestonorone SCHEMBL17831152 0.84 CYP3A4 (0.67) LMNACYP2C19NR3C1MAPTHIF1A
Gestonorone SCHEMBL19834940 0.84 CYP3A4 (0.67) LMNACYP2C19NR3C1MAPTHIF1A
Gestonorone SCHEMBL17831151 0.84 CYP3A4 (0.67) LMNACYP2C19NR3C1MAPTHIF1A
Gestonorone SCHEMBL20488186 0.84 CYP3A4 (0.67) LMNACYP2C19NR3C1MAPTHIF1A
Gestonorone SCHEMBL141624 0.84 CYP3A4 (0.67) LMNACYP2C19NR3C1MAPTHIF1A
SCHEMBL7887205 0.83 PGR (0.61) LMNACYP2C19NR3C1MAPTHIF1A
SCHEMBL8726203 0.82 PGR (0.48) LMNACYP2C19NR3C1MAPTHIF1A
SCHEMBL7882963 0.79 LMNA (0.62) LMNACYP2C19NR3C1MAPTHIF1A
SCHEMBL9472235 0.79 LMNA (0.62) LMNACYP2C19NR3C1MAPTHIF1A
SCHEMBL7882960 0.76 NR3C1 (0.69) LMNACYP2C19NR3C1MAPTHIF1A

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-6180803-B1 STEROID DRUGS LABORATOIRE THERAMEX (MC) 2001-01-30 — — US disclosed
EP-0886645-B1 NEW 19-NOR-PREGNENE DERIVATIVES THERAMEX (MC) 1999-09-01 — — EP disclosed
EP-0886645-A1 NEW 19-NOR-PREGNENE DERIVATIVES LABORATOIRE THERAMEX (MC) 1998-12-30 — — EP disclosed
WO-1997027210-A1 NEW 19-NOR-PREGNENE DERIVATIVES LABORATOIRE THERAMEX (MC) 1997-07-31 — — WO disclosed
EP-0785212-A1 New 19-nor-pregnene derivatives LABORATOIRE THERAMEX (MC) 1997-07-23 — — EP disclosed
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