SCHEMBL11431366

SCHEMBL11431366

CCCCOC(=O)OCC(=O)[C@@]1(OC(=O)OC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.72
▸ NR3C1 P04150 8/20 0.72
▸ HIF1A Q16665 6/20 0.72
▸ LMNA P02545 3/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ USP2 O75604 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ ABCB11 O95342 2/20 0.63
▸ NR1I2 O75469 2/20 0.63
▸ ABCC3 O15438 1/20 0.63
▸ NR3C2 P08235 5/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ AR P10275 2/20 0.55
▸ TNF P01375 1/20 0.55
▸ IL6 P05231 1/20 0.55
▸ SERPINA6 P08185 1/20 0.55
▸ GLUL P15104 1/20 0.55
▸ ADAM17 P78536 1/20 0.55
▸ GPBAR1 Q8TDU6 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
SCHEMBL11431725 0.97 PGR (0.75) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11430779 0.96 NR3C1 (0.73) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11425490 0.96 NR3C1 (0.78) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11426205 0.96 PGR (0.73) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11424348 0.95 NR3C1 (0.76) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11424564 0.95 NR3C1 (0.76) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11423093 0.95 NR3C1 (0.76) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11422242 0.94 NR3C1 (0.82) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11424569 0.94 NR3C1 (0.82) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11430892 0.93 NR3C1 (0.74) PGRNR3C1HIF1ALMNACYP3A4

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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