SCHEMBL11424304

SCHEMBL11424304

CCCCCOC(=O)O[C@]1(C(=O)COC(=O)OCCCC)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 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.56
▸ CYP3A4 P08684 6/20 0.56
▸ HIF1A Q16665 6/20 0.56
▸ NR3C1 P04150 5/20 0.56
▸ LMNA P02545 4/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ AR P10275 4/20 0.56
▸ ADRA1A P35348 2/20 0.56
▸ CHRM1 P11229 2/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ ABCB11 O95342 4/20 0.54
▸ F2 P00734 1/20 0.51
▸ NR1I2 O75469 2/20 0.49
▸ ABCC3 O15438 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL11431503 0.99 PGR (0.55) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11430596 0.98 PGR (0.58) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11424195 0.98 PGR (0.60) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11431381 0.97 PGR (0.56) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11433534 0.97 PGR (0.56) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11424248 0.96 PGR (0.55) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11423938 0.96 PGR (0.61) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11442001 0.96 PGR (0.61) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11423765 0.96 ABCB11 (0.60) PGRCYP3A4HIF1ANR3C1LMNA
SCHEMBL11431529 0.95 PGR (0.52) PGRCYP3A4HIF1ANR3C1LMNA

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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