SCHEMBL11245532

SCHEMBL11245532

CCC(=O)O[C@]1(C(=S)OC)[C@@H](C)C[C@H]2[C@@H]3CCC4=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
▸ NR3C1 P04150 8/20 0.65
▸ HIF1A Q16665 6/20 0.65
▸ PGR P06401 5/20 0.65
▸ LMNA P02545 4/20 0.65
▸ CNR1 P21554 2/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ CYP3A4 P08684 6/20 0.56
▸ USP2 O75604 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CYP2D6 P10635 1/20 0.54
▸ HSD17B10 Q99714 3/20 0.51
▸ ABCB11 O95342 2/20 0.51
▸ NR3C2 P08235 2/20 0.51
▸ AR P10275 2/20 0.51
▸ TNF P01375 1/20 0.51
▸ IL6 P05231 1/20 0.51
▸ SERPINA6 P08185 1/20 0.51

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
SCHEMBL11310892 0.94 NR3C1 (0.61) NR3C1HIF1APGRLMNACNR1
SCHEMBL11233710 0.92 NR3C1 (0.67) NR3C1HIF1APGRLMNACNR1
SCHEMBL11307485 0.91 NR3C1 (0.61) NR3C1HIF1APGRLMNACNR1
SCHEMBL11845299 0.90 NR3C1 (0.69) NR3C1HIF1APGRLMNACNR1
SCHEMBL11234403 0.90 NR3C1 (0.69) NR3C1HIF1APGRLMNACNR1
SCHEMBL11421849 0.89 NR3C1 (0.69) NR3C1HIF1APGRLMNACNR1
SCHEMBL11421850 0.89 NR3C1 (0.69) NR3C1HIF1APGRLMNACNR1
SCHEMBL4550220 0.89 NR3C1 (0.68) NR3C1HIF1APGRLMNACNR1
SCHEMBL11233706 0.89 NR3C1 (0.68) NR3C1HIF1APGRLMNACNR1
SCHEMBL4550151 0.89 NR3C1 (0.68) NR3C1HIF1APGRLMNACNR1

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-4310466-A ANTIINFLAMMATORY STEROIDS SYNTEX (U.S.A.) INC. (US) 1982-01-12 — — US disclosed
US-4263289-A ANTIINFLAMMATORY STEROIDS SYNTEX (U.S.A.) INC. (US) 1981-04-21 — — US disclosed
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