SCHEMBL11125406

SCHEMBL11125406

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.65
▸ AR P10275 4/20 0.65
▸ ADRA1A P35348 3/20 0.65
▸ ADORA3 P0DMS8 3/20 0.65
▸ CHRM1 P11229 2/20 0.65
▸ ABCB11 O95342 3/20 0.61
▸ CYP3A4 P08684 7/20 0.56
▸ NR3C1 P04150 7/20 0.56
▸ LMNA P02545 5/20 0.56
▸ USP2 O75604 4/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ CNR1 P21554 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NR1I2 O75469 3/20 0.55
▸ MLNR O43193 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP3A5 P20815 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
SCHEMBL11125393 1.00 PGR (0.65) PGRARADRA1AADORA3CHRM1
SCHEMBL11125425 1.00 PGR (0.65) PGRARADRA1AADORA3CHRM1
SCHEMBL11236322 0.93 PGR (0.72) PGRARADRA1AADORA3CHRM1
SCHEMBL11126579 0.93 PGR (0.72) PGRARADRA1AADORA3CHRM1
SCHEMBL11236326 0.93 PGR (0.72) PGRARADRA1AADORA3CHRM1
SCHEMBL10427850 0.92 PGR (0.58) PGRARADRA1AADORA3CHRM1
SCHEMBL10427908 0.92 PGR (0.58) PGRARADRA1AADORA3CHRM1
SCHEMBL11124736 0.91 ABCB11 (0.67) PGRARADRA1AADORA3CHRM1
SCHEMBL11127564 0.91 ABCB11 (0.67) PGRARADRA1AADORA3CHRM1
SCHEMBL11236533 0.91 PGR (0.64) PGRARADRA1AADORA3CHRM1

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
Send feedback