SCHEMBL11126157

SCHEMBL11126157

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.54
▸ AR P10275 4/20 0.54
▸ CHRM1 P11229 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ CYP3A4 P08684 8/20 0.54
▸ HIF1A Q16665 5/20 0.54
▸ NR3C1 P04150 4/20 0.54
▸ ABCB11 O95342 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ USP2 O75604 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ CYP2C9 P11712 4/20 0.49
▸ MLNR O43193 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP3A5 P20815 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ CYP2D6 P10635 1/20 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
SCHEMBL11126161 1.00 PGR (0.54) PGRARCHRM1ADORA3ADRA1A
SCHEMBL11126155 1.00 PGR (0.54) PGRARCHRM1ADORA3ADRA1A
SCHEMBL11300351 0.93 PGR (0.54) PGRARCHRM1ADORA3ADRA1A
SCHEMBL11300356 0.93 PGR (0.54) PGRARCHRM1ADORA3ADRA1A
SCHEMBL11300353 0.93 PGR (0.54) PGRARCHRM1ADORA3ADRA1A
SCHEMBL10427781 0.92 CYP3A4 (0.54) PGRARCHRM1ADORA3ADRA1A
SCHEMBL10427912 0.92 CYP3A4 (0.54) PGRARCHRM1ADORA3ADRA1A
SCHEMBL11294655 0.86 CYP19A1 (0.51) PGRARCHRM1ADORA3ADRA1A
SCHEMBL11305361 0.86 CYP19A1 (0.51) PGRARCHRM1ADORA3ADRA1A
SCHEMBL11294657 0.86 CYP19A1 (0.51) PGRARCHRM1ADORA3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039311-B1 HALOGENATED STEROIDS CIBA-GEIGY AG (CH) 1984-07-11 — — EP claimed
US-4361558-A PREPARATION OF THESE ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-11-30 — — US claimed
US-4361558-A PREPARATION OF THESE ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-11-30 — — US disclosed
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