SCHEMBL11431033

SCHEMBL11431033

CCCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.88
▸ PGR P06401 8/20 0.88
▸ HIF1A Q16665 5/20 0.88
▸ LMNA P02545 3/20 0.88
▸ CYP3A4 P08684 2/20 0.88
▸ USP2 O75604 1/20 0.88
▸ CYP2D6 P10635 1/20 0.88
▸ CYP2C9 P11712 1/20 0.88
▸ ABCB11 O95342 2/20 0.66
▸ NR1I2 O75469 2/20 0.66
▸ ABCC3 O15438 1/20 0.66
▸ AR P10275 2/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ NR3C2 P08235 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ TNF P01375 1/20 0.56
▸ IL6 P05231 1/20 0.56
▸ SERPINA6 P08185 1/20 0.56
▸ GLUL P15104 1/20 0.56
▸ ADAM17 P78536 1/20 0.56

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
SCHEMBL11421311 0.96 PGR (0.87) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11431341 0.95 PGR (0.85) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11429998 0.95 NR3C1 (0.80) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11431313 0.95 NR3C1 (0.80) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11421739 0.95 NR3C1 (0.79) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11426076 0.94 HIF1A (0.78) NR3C1PGRHIF1ALMNACYP3A4
Prednicarbate SCHEMBL5483489 0.94 NR3C1 (1.00) NR3C1PGRHIF1ALMNACYP3A4
Prednicarbate SCHEMBL3941 0.94 NR3C1 (1.00) NR3C1PGRHIF1ALMNACYP3A4
Prednicarbate SCHEMBL3942 0.94 NR3C1 (1.00) NR3C1PGRHIF1ALMNACYP3A4
Prednicarbate SCHEMBL1650745 0.94 NR3C1 (1.00) NR3C1PGRHIF1ALMNACYP3A4

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-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
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