SCHEMBL11368251

SCHEMBL11368251

CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
HIF1A Q16665 8/20 0.55
LMNA P02545 7/20 0.55
PGR P06401 6/20 0.55
CYP3A4 P08684 4/20 0.55
AR P10275 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
NR3C1 P04150 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CNR1 P21554 2/20 0.50
USP2 O75604 2/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TBXA2R P21731 1/20 0.47
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL5708123 0.88 KDM4E (0.79) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL24525578 0.88 KDM4E (0.79) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL5708128 0.88 KDM4E (0.79) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL24852454 0.88 KDM4E (0.79) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL11322898 0.86 HIF1A (0.52) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL11322896 0.86 HIF1A (0.52) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL11362338 0.84 HIF1A (0.63) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL10937267 0.84 HIF1A (0.63) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL32668997 0.84 HIF1A (0.63) KDM4EHIF1ALMNAPGRCYP3A4
SCHEMBL5708002 0.84 HIF1A (0.63) KDM4EHIF1ALMNAPGRCYP3A4

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
EP-0029151-A2 6-Alpha-fluoro-9-alpha-chloro-prednisolone-17,21 diesters, pharmaceutical compositions containing them and intermediates STEROSYNT Ltd. (GB) 1981-05-27 EP disclosed