SCHEMBL11047292

SCHEMBL11047292

CCC(=O)O[C@@]1(C(=O)CCl)[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 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.85
▸ USP2 O75604 4/20 0.85
▸ NR3C1 P04150 4/20 0.85
▸ PGR P06401 4/20 0.85
▸ ADORA3 P0DMS8 3/20 0.85
▸ AR P10275 2/20 0.85
▸ HIF1A Q16665 2/20 0.85
▸ CHRM1 P11229 1/20 0.85
▸ CNR1 P21554 1/20 0.85
▸ TBXA2R P21731 1/20 0.85
▸ LMNA P02545 5/20 0.81
▸ MAPT P10636 4/20 0.81
▸ ABCB11 O95342 3/20 0.81
▸ CYP2D6 P10635 2/20 0.81
▸ CYP2C9 P11712 2/20 0.81
▸ NR1I2 O75469 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.81
▸ NPSR1 Q6W5P4 2/20 0.81
▸ MLNR O43193 1/20 0.81
▸ CYP3A5 P20815 1/20 0.81

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
SCHEMBL11047288 1.00 CYP3A4 (0.85) CYP3A4USP2NR3C1PGRADORA3
SCHEMBL11047296 1.00 CYP3A4 (0.85) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL24581289 0.93 CYP3A4 (0.85) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL10354253 0.93 CYP3A4 (0.85) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL102219 0.93 CYP3A4 (0.85) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL10354250 0.93 CYP3A4 (0.85) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone 17-Monopropionate SCHEMBL10354251 0.93 CYP3A4 (0.85) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone Dipropionate SCHEMBL6055708 0.92 CYP3A4 (1.00) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone Dipropionate SCHEMBL10493593 0.92 CYP3A4 (1.00) CYP3A4USP2NR3C1PGRADORA3
Beclomethasone Dipropionate SCHEMBL5095 0.92 CYP3A4 (1.00) CYP3A4USP2NR3C1PGRADORA3

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
US-4427591-A TOPICAL ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1984-01-24 — — US disclosed
US-4336200-A 17α-Acyloxy-5β-corticoids THE UPJOHN COMPANY (US) 1982-06-22 — — US disclosed
US-4318853-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1982-03-09 — — US disclosed
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