SCHEMBL5602245

SCHEMBL5602245

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.80
▸ NR3C1 P04150 8/20 0.80
▸ HIF1A Q16665 6/20 0.80
▸ LMNA P02545 4/20 0.80
▸ CYP3A4 P08684 3/20 0.80
▸ USP2 O75604 1/20 0.80
▸ CYP2D6 P10635 1/20 0.80
▸ CYP2C9 P11712 1/20 0.80
▸ AR P10275 4/20 0.73
▸ CHRM1 P11229 2/20 0.73
▸ ABCB11 O95342 2/20 0.63
▸ NR1I2 O75469 2/20 0.63
▸ ABCC3 O15438 1/20 0.63
▸ HSD17B10 Q99714 2/20 0.59
▸ NR3C2 P08235 2/20 0.59
▸ SERPINA6 P08185 2/20 0.59
▸ TNF P01375 1/20 0.59
▸ IL6 P05231 1/20 0.59
▸ GLUL P15104 1/20 0.59
▸ ADAM17 P78536 1/20 0.59

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
SCHEMBL5602237 1.00 PGR (0.80) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11422082 0.95 NR3C1 (0.88) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL9487612 0.93 PGR (0.78) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL2299113 0.93 PGR (0.78) PGRNR3C1HIF1ALMNACYP3A4
Prednisolone Valerate Acetate SCHEMBL375318 0.93 PGR (0.72) PGRNR3C1HIF1ALMNACYP3A4
Prednisolone Valerate Acetate SCHEMBL14339603 0.93 PGR (0.72) PGRNR3C1HIF1ALMNACYP3A4
Prednisolone Valerate Acetate SCHEMBL375319 0.93 PGR (0.72) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL10940461 0.93 PGR (0.72) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL10940470 0.93 PGR (0.72) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11016450 0.92 PGR (0.80) PGRNR3C1HIF1ALMNACYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610511-B2 COMPOSITION FOR DERMATOLOGIC PREPARATION SHISEIDO CO LTD (JP) 2007-08-01 — — EP claimed
EP-0610511-A1 COMPOSITION FOR DERMATOLOGIC PREPARATION SHISEIDO COMPANY LIMITED (JP) 1994-08-17 — — EP claimed
EP-0610511-B2 COMPOSITION FOR DERMATOLOGIC PREPARATION SHISEIDO CO LTD (JP) 2007-08-01 — — EP disclosed
EP-0610511-B1 COMPOSITION FOR DERMATOLOGIC PREPARATION SHISEIDO CO LTD (JP) 2003-04-02 — — EP disclosed
US-5962000-A VITAMIN A AND AN ANTIINFLAMMATORY DRUG SELECTED FROM THE GROUP CONSISTING OF HYDROCORTISONE, ACETAMINOPHINE, ALLANTOIN, GLYCYRRHETIC STEARYL, AND DERMATOLOGICALLY ACCEPTABLE SALTS OF GLYCYRRHIZIC ACID. SHISEIDO COMPANY, LTD. (JP) 1999-10-05 — — US disclosed
US-5686086-A VITAMIN A, POLYETHERSILOXANE COPOLYMER SHISEIDO CO., LTD. (JP) 1997-11-11 — — US disclosed
EP-0610511-A1 COMPOSITION FOR DERMATOLOGIC PREPARATION SHISEIDO COMPANY LIMITED (JP) 1994-08-17 — — EP disclosed
EP-0098566-A2 Corticoids-containing preparation for topical application SCHERING AKTIENGESELLSCHAFT (DE) 1984-01-18 — — EP disclosed
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