SCHEMBL11328349

SCHEMBL11328349

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.61
▸ NR3C1 P04150 5/20 0.61
▸ CYP3A4 P08684 5/20 0.61
▸ ABCB11 O95342 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PGR P06401 5/20 0.56
▸ USP2 O75604 3/20 0.56
▸ AR P10275 3/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ NR3C2 P08235 2/20 0.55
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL11328354 1.00 HIF1A (0.61) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11331377 0.94 CYP3A4 (0.63) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11331386 0.94 CYP3A4 (0.63) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11491230 0.93 ABCB11 (0.61) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11491227 0.93 ABCB11 (0.61) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11482607 0.93 CYP3A4 (0.55) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11482600 0.93 CYP3A4 (0.55) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11331836 0.91 HIF1A (0.63) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11331846 0.91 HIF1A (0.63) HIF1ANR3C1CYP3A4ABCB11LMNA
SCHEMBL11286872 0.91 NR3C1 (0.56) HIF1ANR3C1CYP3A4ABCB11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243664-A 17,21-DIACYLOXY-11-FLUORO-1,4,8-PREGNATRIENE-3,20-DIONES, ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1981-01-06 — — US disclosed
US-4176126-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1979-11-27 — — US disclosed
Send feedback