Diflucortolone 21-Valerate

SCHEMBL9388448

CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	PGR	P06401	8/20	0.73

▸	NR1I2	O75469	3/20	0.73

▸	HTR2B	P41595	1/20	0.73

▸	HIF1A	Q16665	7/20	0.63

▸	AR	P10275	7/20	0.63

▸	CYP3A4	P08684	5/20	0.63

▸	ADORA3	P0DMS8	3/20	0.63

▸	LMNA	P02545	2/20	0.55

▸	NPSR1	Q6W5P4	1/20	0.55

▸	NR3C1	P04150	9/20	0.53

▸	SMN1; SMN2	Q16637	3/20	0.53

▸	ALDH1A1	P00352	2/20	0.53

▸	CYP1A2	P05177	1/20	0.53

▸	NR3C2	P08235	1/20	0.53

▸	CHRM1	P11229	2/20	0.53

▸	ABCB11	O95342	2/20	0.53

▸	ADRA1A	P35348	1/20	0.52

▸	MAPT	P10636	1/20	0.52

▸	RAB9A	P51151	1/20	0.52

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.

Compound	similarity	top predicted	shared targets
Diflucortolone 21-Valerate SCHEMBL13157	1.00	PGR (0.73)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL2790985	1.00	PGR (0.73)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL3015	1.00	PGR (0.73)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL1021717	1.00	PGR (0.73)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL11243011	1.00	PGR (0.73)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL13158	1.00	PGR (0.73)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL16338435	0.99	PGR (0.72)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL679499	0.99	PGR (0.72)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL4454848	0.99	PGR (0.72)	PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL15312089	0.99	PGR (0.72)	PGRNR1I2HTR2BHIF1AAR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1994008218-A1	APPARATUS FOR TESTING ENDURANCE PROPERTIES OF THE FEMORAL COMPONENT OF A HIP PROSTHESIS	NEW YORK UNIVERSITY (US)	1994-04-14	—	—	WO	disclosed
US-5211666-A	HIP JOINT FEMORAL COMPONENT ENDOPROSTHESIS WITH A LATERAL LOAD-TRANSFERRING SUPPORT SURFACE	NEW YORK UNIVERSITY (US)	1993-05-18	—	—	US	disclosed