SCHEMBL11683173

SCHEMBL11683173

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)C(F)F)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.48
▸ CYP3A4 P08684 7/20 0.48
▸ HIF1A Q16665 6/20 0.48
▸ PGR P06401 6/20 0.48
▸ AR P10275 4/20 0.48
▸ ABCB11 O95342 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 6/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ HTR1A P08908 1/20 0.38

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
SCHEMBL11681635 0.94 NR3C1 (0.47) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11683809 0.94 NR3C1 (0.47) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11681918 0.93 CYP3A4 (0.46) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11679731 0.92 NR3C1 (0.51) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11680318 0.87 CYP3A4 (0.46) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11683109 0.86 NR3C1 (0.51) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11682629 0.85 CYP3A4 (0.51) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11686840 0.85 NR3C1 (0.51) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11866793 0.84 CYP3A4 (0.49) NR3C1CYP3A4HIF1APGRAR
SCHEMBL11682502 0.84 NR3C1 (0.58) NR3C1CYP3A4HIF1APGRAR

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-4065452-A TOPICAL ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1977-12-27 — — US disclosed
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