SCHEMBL11424660

SCHEMBL11424660

CCOC(=O)O[C@]1(C(=O)COC(=O)CCC2CCCC2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.63
▸ HIF1A Q16665 7/20 0.63
▸ NR3C1 P04150 6/20 0.63
▸ CYP3A4 P08684 4/20 0.63
▸ LMNA P02545 3/20 0.63
▸ USP2 O75604 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ AR P10275 3/20 0.58
▸ F2 P00734 1/20 0.58
▸ ABCB11 O95342 3/20 0.54
▸ NR1I2 O75469 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ ABCC3 O15438 1/20 0.52
▸ CHRM1 P11229 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL11422649 0.93 PGR (0.62) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL11421536 0.91 PGR (0.76) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL11422613 0.90 PGR (0.67) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL11431394 0.89 PGR (0.68) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL11422610 0.88 PGR (0.65) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL11424511 0.88 PGR (0.82) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL11430257 0.87 PGR (0.56) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL11438794 0.87 PGR (0.55) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL7094754 0.86 CYP3A4 (0.65) PGRHIF1ANR3C1CYP3A4LMNA
SCHEMBL10905048 0.86 NR3C1 (0.69) PGRHIF1ANR3C1CYP3A4LMNA

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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