SCHEMBL9254420

SCHEMBL9254420

[CH2]CCCCc1cc2ccccc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BRD4 O60885 1/20 0.47
DAO P14920 1/20 0.47
DDO Q99489 1/20 0.47
IL4I1 Q96RQ9 4/20 0.47
TSHR P16473 2/20 0.46
CHEK1 O14757 1/20 0.45
KDR P35968 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 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
SCHEMBL1370758 0.84 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11709052 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL18499080 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30274765 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL7646960 0.83 DAO (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Bromide SCHEMBL31326904 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8797241 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5089423 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13349416 0.79 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL3476410 0.77 LOXL2 (0.55)

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
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed