SCHEMBL9028420

SCHEMBL9028420

C=CCOc1cccc(CCC)c1CC(=C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAPT P10636 1/20 0.36
LIG1 P18858 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL28640918 0.78 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AHPGDTSHR
SCHEMBL9251894 0.78 ALDH1A1 (0.54) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL28032566 0.77 ALDH1A1 (0.45) LTB4RLTB4R2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9028412 0.77 ADRB2 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9027262 0.73 IAPP (0.38) HTR1A
SCHEMBL9027559 0.73 LTA4H (0.40) ALDH1A1KDM4EMAPTLMNACYP2D6
SCHEMBL9028266 0.72 KDM4E (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9026754 0.69 GABRA1 (0.40) ALDH1A1TSHRMAPK1HSD17B10KDM4E
SCHEMBL27909063 0.68 MAPT (0.43) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL2844525 0.68 HPGD (0.43) ALDH1A1HPGDTSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed