SCHEMBL11220809

SCHEMBL11220809

CCC(=O)O[C@]1(C(=O)SCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.62
▸ LMNA P02545 5/20 0.62
▸ NR3C1 P04150 5/20 0.62
▸ PGR P06401 4/20 0.62
▸ USP2 O75604 3/20 0.62
▸ CYP2C9 P11712 3/20 0.62
▸ NR1I2 O75469 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ MLNR O43193 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ CYP3A5 P20815 1/20 0.62
▸ PPARG P37231 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ HIF1A Q16665 5/20 0.56
▸ ALDH1A1 P00352 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
SCHEMBL11230537 0.93 CYP3A4 (0.59) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL11481548 0.90 CYP3A4 (0.72) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL11126098 0.90 CYP3A4 (0.72) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL10789014 0.89 CYP3A4 (0.61) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL10789008 0.88 CYP3A4 (0.63) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL19726399 0.87 CYP3A4 (0.64) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL19726403 0.85 NR3C1 (0.72) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL3765710 0.85 CYP3A4 (0.50) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL3759708 0.85 CYP3A4 (0.50) CYP3A4LMNANR3C1PGRUSP2
SCHEMBL12996756 0.85 HIF1A (0.62) CYP3A4LMNANR3C1PGRCYP2C9

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-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 — — US disclosed
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