SCHEMBL11436847

SCHEMBL11436847

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.76
▸ HIF1A Q16665 7/20 0.76
▸ NR3C1 P04150 7/20 0.76
▸ LMNA P02545 4/20 0.76
▸ CYP3A4 P08684 3/20 0.76
▸ USP2 O75604 1/20 0.76
▸ CYP2D6 P10635 1/20 0.76
▸ CYP2C9 P11712 1/20 0.76
▸ ABCB11 O95342 2/20 0.66
▸ NR1I2 O75469 2/20 0.66
▸ ABCC3 O15438 1/20 0.66
▸ AR P10275 4/20 0.59
▸ CHRM1 P11229 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.56
▸ SERPINA6 P08185 2/20 0.56
▸ NR3C2 P08235 2/20 0.56
▸ TNF P01375 1/20 0.56
▸ IL6 P05231 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
SCHEMBL11430080 0.98 PGR (0.74) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11425591 0.96 PGR (0.77) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11425490 0.95 NR3C1 (0.78) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11423093 0.94 NR3C1 (0.76) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11424564 0.94 NR3C1 (0.76) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11424348 0.94 NR3C1 (0.76) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11422242 0.93 NR3C1 (0.82) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11431725 0.93 PGR (0.75) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11421311 0.93 PGR (0.87) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11424569 0.93 NR3C1 (0.82) PGRHIF1ANR3C1LMNACYP3A4

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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