SCHEMBL4267312

SCHEMBL4267312

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.54
PGR P06401 4/20 0.54
HIF1A Q16665 2/20 0.54
CYP3A4 P08684 2/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
NR3C1 P04150 12/20 0.51
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4267316 1.00 AR (0.54) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL4273345 1.00 AR (0.54) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL11433218 0.92 NR3C1 (0.54) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL11433217 0.92 NR3C1 (0.54) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL11751239 0.90 CYP3A4 (0.68) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL11751224 0.90 CYP3A4 (0.68) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL13912204 0.90 CYP3A4 (0.51) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL11573810 0.88 AR (0.49) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL10629874 0.88 HIF1A (0.59) ARPGRHIF1ACYP3A4ABCB11
SCHEMBL10629866 0.88 HIF1A (0.59) ARPGRHIF1ACYP3A4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075328-A1 PROCESS FOR THE OVEREXPRESSION OF DEHYDROGENASES SPELLIG TILMAN 2009-03-19 US claimed
US-7416866-B2 Process for the overexpression of dehydrogenases SCHERING AG (DE) 2008-08-26 US claimed
EP-0276393-B1 PROCESS FOR THE PREPARATION OF 6-ALPHA, 9-ALPHA-DIFLUORO-11-BETA-17-ALPHA-DIHYDROXY-16-ALPHA-METHYL-PREGN-4-ENE-3,20-DIONE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-04 EP claimed
US-4898693-A Process for production of 6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-4-pregnene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-06 US claimed
US-20090075328-A1 PROCESS FOR THE OVEREXPRESSION OF DEHYDROGENASES SPELLIG TILMAN 2009-03-19 US disclosed
US-7416866-B2 Process for the overexpression of dehydrogenases SCHERING AG (DE) 2008-08-26 US disclosed
EP-1470227-B1 Method for selective introduction of a double bond in a steroid BAYER SCHERING PHARMA AG (DE) 2007-04-11 EP disclosed
US-20040091987-A1 Process for the overexpression of dehydrogenases SCHERING AG (DE) 2004-05-13 US disclosed
EP-0354945-B1 PROCESS FOR THE ENHANCEMENT OF ENZYME ACTIVITIES AND SYNTHETIC EFFICIENCY IN MICROORGANISMS AND HIGHER PLANTS SCHERING AG (DE) 1994-03-23 EP disclosed
EP-0276393-B1 PROCESS FOR THE PREPARATION OF 6-ALPHA, 9-ALPHA-DIFLUORO-11-BETA-17-ALPHA-DIHYDROXY-16-ALPHA-METHYL-PREGN-4-ENE-3,20-DIONE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-04 EP disclosed
US-4898693-A Process for production of 6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-4-pregnene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
US-4898693-A Process for production of 6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-4-pregnene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
US-4898693-A Process for production of 6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-4-pregnene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
EP-0276393-A2 Process for the preparation of 6-alpha, 9-alpha-difluoro-11-beta-17-alpha-dihydroxy-16-alpha-methyl-pregn-4-ene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 EP disclosed
EP-0276393-A2 Process for the preparation of 6-alpha, 9-alpha-difluoro-11-beta-17-alpha-dihydroxy-16-alpha-methyl-pregn-4-ene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 EP disclosed