SCHEMBL10427850

SCHEMBL10427850

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.58
▸ AR P10275 4/20 0.58
▸ ADORA3 P0DMS8 2/20 0.58
▸ CHRM1 P11229 2/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ CYP3A4 P08684 8/20 0.57
▸ USP2 O75604 6/20 0.57
▸ NR3C1 P04150 6/20 0.57
▸ HIF1A Q16665 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ CNR1 P21554 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ABCB11 O95342 3/20 0.55
▸ NR1I2 O75469 3/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ PDE4D Q08499 1/20 0.55

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
SCHEMBL10427908 1.00 PGR (0.58) PGRARADORA3CHRM1ADRA1A
SCHEMBL11125406 0.92 PGR (0.65) PGRARADORA3CHRM1ADRA1A
SCHEMBL11125425 0.92 PGR (0.65) PGRARADORA3CHRM1ADRA1A
SCHEMBL11125393 0.92 PGR (0.65) PGRARADORA3CHRM1ADRA1A
SCHEMBL10427815 0.91 PGR (0.67) PGRARADORA3CHRM1CYP3A4
SCHEMBL10427816 0.91 PGR (0.67) PGRARADORA3CHRM1CYP3A4
SCHEMBL9807831 0.91 PGR (0.55) PGRARADORA3CHRM1ADRA1A
SCHEMBL9807835 0.91 PGR (0.55) PGRARADORA3CHRM1ADRA1A
SCHEMBL10356203 0.90 PGR (0.66) PGRARADORA3CHRM1CYP3A4
SCHEMBL10356202 0.90 PGR (0.66) PGRARADORA3CHRM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100874-B1 6,16-DIMETHYL CORTICOIDS, THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-07 — — EP claimed
EP-0100874-B1 6,16-DIMETHYL CORTICOIDS, THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-07 — — EP disclosed
US-4555507-A Novel 6, 16-dimethylcorticoids, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-26 — — US disclosed
EP-0100874-A2 6,16-Dimethyl corticoids, their preparation and their use SCHERING AKTIENGESELLSCHAFT (DE) 1984-02-22 — — EP disclosed
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