SCHEMBL9440253

SCHEMBL9440253

CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ATM Q13315 1/20 0.60
KMT2A Q03164 4/20 0.59
POLB P06746 1/20 0.58
ALOX15 P16050 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
CYP3A4 P08684 2/20 0.53
UGT1A1 P22309 1/20 0.53
FNTA P49354 4/20 0.53
FNTB P49356 4/20 0.53
SQLE Q14534 1/20 0.52
TRPA1 O75762 1/20 0.49

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
SCHEMBL9440265 1.00 KDM4E (0.60) KDM4EATMKMT2APOLBALOX15
SCHEMBL21753670 0.93 KDM4E (0.56) KDM4EATMKMT2APOLBALOX15
SCHEMBL30919999 0.87 KDM4E (0.55) KDM4EATMKMT2APOLBALOX15
SCHEMBL2023438 0.87 KDM4E (0.58) KDM4EATMKMT2APOLBALOX15
SCHEMBL11578341 0.87 KDM4E (0.58) KDM4EATMKMT2APOLBALOX15
SCHEMBL12266823 0.87 KDM4E (0.58) KDM4EATMKMT2APOLBALOX15
SCHEMBL5856997 0.87 KDM4E (0.58) KDM4EATMKMT2APOLBALOX15
SCHEMBL10181090 0.87 KDM4E (0.58) KDM4EATMKMT2APOLBALOX15
SCHEMBL29578463 0.84 KDM4E (0.64) KDM4EATMKMT2APOLBALOX15
SCHEMBL10297988 0.84 KDM4E (0.55) KDM4EATMKMT2APOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332143-B1 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-[(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienoate] KURARAY CO (JP) 1994-03-16 EP disclosed
US-5278156-A Steroids KURARAY CO., LTD. (JP) 1994-01-11 US disclosed
US-5015746-A Esterification of prednisolone with 3,7,11-trimethyl-2,6,10-dodecatrienoic acid in the presence of disubstituted aminopyridines and a condensing agents KURARAY CO., LTD. (JP) 1991-05-14 US disclosed
EP-0332143-A1 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-[(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienoate] KURARAY CO., LTD. (JP) 1989-09-13 EP disclosed