SCHEMBL11288394

SCHEMBL11288394

CCCCOC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.58
▸ AR P10275 4/20 0.58
▸ ADRA1A P35348 2/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ CYP3A4 P08684 7/20 0.55
▸ NR3C1 P04150 6/20 0.55
▸ ABCB11 O95342 5/20 0.55
▸ HIF1A Q16665 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ NR1I2 O75469 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL11424745 0.98 PGR (0.57) PGRARADRA1AADORA3CHRM1
SCHEMBL11284506 0.96 PGR (0.59) PGRARADRA1AADORA3CHRM1
SCHEMBL11430596 0.93 PGR (0.58) PGRARADRA1AADORA3CHRM1
SCHEMBL7598319 0.93 PGR (0.61) PGRARADRA1AADORA3CHRM1
SCHEMBL11430903 0.92 ABCB11 (0.62) PGRARADRA1AADORA3CHRM1
SCHEMBL11424304 0.92 PGR (0.56) PGRARADRA1AADORA3CHRM1
SCHEMBL11433534 0.92 PGR (0.56) PGRARADRA1AADORA3CHRM1
SCHEMBL11431381 0.92 PGR (0.56) PGRARADRA1AADORA3CHRM1
SCHEMBL11288870 0.91 PGR (0.56) PGRARADRA1AADORA3CHRM1
SCHEMBL11431833 0.91 PGR (0.59) PGRARADRA1AADORA3CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000742-B1 CORTICOIDS-17-ALKYLCARBONATES, PROCESS FOR THEIR PREPARATION AND PREPARATIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-12 — — EP disclosed
US-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
EP-0000742-A1 Corticoids-17-alkylcarbonates, process for their preparation and preparations containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-21 — — EP disclosed
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