SCHEMBL5240891

SCHEMBL5240891

COC(=O)c1c(CCl)n(C)c2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NR4A2 P43354 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G2A P14555 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.39
ABL1 P00519 1/20 0.39
HIF1A Q16665 3/20 0.39
GSK3B P49841 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5240856 0.89 ALOX5 (0.47) OXER1PLA2G2AALOX5
SCHEMBL5237509 0.85 ALOX5 (0.41) KDM4EALDH1A1TSHRHSD17B10PLA2G2A
SCHEMBL2085240 0.82 KMT2A (0.48) KDM4ENR4A2ALDH1A1CYP1A2CYP3A4
SCHEMBL5950819 0.82 SRC (0.51) KDM4ENR4A2ALDH1A1TSHRHSD17B10
SCHEMBL5239346 0.77 ALOX5 (0.48) KDM4EALDH1A1ALOX15PLA2G2AALOX5
SCHEMBL5746650 0.75 MAPK8 (0.45) OXER1MAPK8MAPK9HIF1AMCL1
SCHEMBL4843888 0.73 GAA (0.43) OXER1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24482981 0.72 MAPK8 (0.44) KDM4ENR4A2ALDH1A1CYP1A2CYP3A4
SCHEMBL4841109 0.72 ALOX15 (0.50) OXER1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL5234885 0.70 SMN1; SMN2 (0.52) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9

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-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed