SCHEMBL7990838

SCHEMBL7990838

CC(/C=N\O)c1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTB4R Q15722 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31

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
SCHEMBL4379680 0.84 KDM4E (0.49) KDM4EALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL4377984 0.80 LTB4R (0.42) KDM4EALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL4543075 0.75 PRSS1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL4543078 0.75 PRSS1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL4383478 0.75 CHRNB2 (0.47)
SCHEMBL8934840 0.74 LTB4R (0.40) ALDH1A1LMNASMN1; SMN2ALOX5TSHR
SCHEMBL7990970 0.74 LTB4R (0.40) KDM4EALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL4392060 0.73 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL7994413 0.72 HCAR2 (0.41) HSD17B10
SCHEMBL27557935 0.72 FFAR1 (0.37) KDM4EALDH1A1LMNASMN1; SMN2TSHR

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed