SCHEMBL11226773

SCHEMBL11226773

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.81
▸ NR3C1 P04150 6/20 0.81
▸ USP2 O75604 5/20 0.81
▸ PGR P06401 5/20 0.81
▸ ADORA3 P0DMS8 3/20 0.81
▸ HIF1A Q16665 3/20 0.81
▸ AR P10275 2/20 0.81
▸ CHRM1 P11229 1/20 0.81
▸ CNR1 P21554 1/20 0.81
▸ TBXA2R P21731 1/20 0.81
▸ LMNA P02545 4/20 0.67
▸ ABCB11 O95342 4/20 0.67
▸ MAPT P10636 3/20 0.67
▸ NR1I2 O75469 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ MLNR O43193 1/20 0.67
▸ CYP3A5 P20815 1/20 0.67
▸ PPARG P37231 1/20 0.67

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
SCHEMBL10529305 0.92 CYP3A4 (0.82) CYP3A4NR3C1USP2PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL10354253 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3
SCHEMBL11047292 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL102219 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3
SCHEMBL11047288 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL24581289 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL10354250 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3
SCHEMBL11226775 0.91 CYP3A4 (0.80) CYP3A4NR3C1USP2PGRADORA3
SCHEMBL11047296 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL10354251 0.91 CYP3A4 (0.85) CYP3A4NR3C1USP2PGRADORA3

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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