SCHEMBL7990970

SCHEMBL7990970

CCC(O)c1cccc(OCCc2c[nH]cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.40
ALOX5 P09917 2/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MTOR P42345 1/20 0.39
RECQL P46063 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
SCHEMBL4377984 0.94 LTB4R (0.42) LTB4RALOX5MAPK1TSHRLMNA
SCHEMBL8934840 0.87 LTB4R (0.40) LTB4RALOX5MAPK1TSHRLMNA
SCHEMBL4379680 0.79 KDM4E (0.49) ALOX5TSHRLMNAMEN1ALDH1A1
SCHEMBL4379265 0.76 KMT2A (0.46) MAPK1TSHRLMNAALDH1A1HPGD
SCHEMBL15016887 0.74 ALOX5 (0.56) ALOX5MAPK1TSHRLMNATP53
SCHEMBL6055172 0.74 LMNA (0.52) ALOX5MAPK1TSHRLMNATP53
SCHEMBL7990838 0.74 KDM4E (0.35) LTB4RALOX5TSHRLMNAMEN1
SCHEMBL9640807 0.72 MTNR1A (0.45) LMNAMEN1ALDH1A1KMT2APKM
SCHEMBL7972642 0.72 TBXAS1 (0.50)
SCHEMBL4392060 0.72 ALDH1A1 (0.49) MAPK1TSHRALDH1A1KMT2ASMN1; SMN2

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 disclosed