SCHEMBL11799289

SCHEMBL11799289

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C5CC5[C@@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 5/20 0.61
▸ LMNA P02545 5/20 0.61
▸ SHBG P04278 4/20 0.61
▸ SERPINA6 P08185 4/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ MAPK3 P27361 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ CYP3A4 P08684 3/20 0.58
▸ PGR P06401 3/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ HIF1A Q16665 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.47

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
SCHEMBL3931094 0.84 HIF1A (0.64) NR3C1LMNASHBGSERPINA6CYP2C19
SCHEMBL10705465 0.83 CYP3A4 (0.60) NR3C1LMNASHBGCYP2C19MAPT
SCHEMBL11799696 0.83 CYP3A4 (0.60) NR3C1LMNASHBGCYP2C19MAPT
SCHEMBL3940208 0.82 NR3C1 (0.48) NR3C1LMNASHBGSERPINA6CYP2C19
SCHEMBL10703752 0.81 NR3C1 (0.62) NR3C1LMNASHBGSERPINA6CYP2C19
SCHEMBL3777666 0.80 LMNA (0.67) NR3C1LMNASHBGSERPINA6CYP2C19
SCHEMBL3029696 0.80 LMNA (0.67) NR3C1LMNASHBGSERPINA6CYP2C19
SCHEMBL3777671 0.80 LMNA (0.67) NR3C1LMNASHBGSERPINA6CYP2C19
SCHEMBL10707185 0.80 NR3C1 (0.46) NR3C1LMNASHBGSERPINA6CYP2C19
SCHEMBL10703308 0.80 AR (0.54) NR3C1LMNASHBGSERPINA6CYP2C19

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-3937700-A Novel 1,2-methylene-17α-acyloxy (or improved hydroxy)-9β, 10α-steroid compounds of the pregnane series, pharmaceutic preparations on the basis of the novel compounds and methods of producing said compounds and preparations U.S. PHILIPS CORPORATION (US) 1976-02-10 — — US disclosed
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