SCHEMBL8037870

SCHEMBL8037870

CCCCOc1ccc(Oc2ccc(N(C(C)=O)c3ccccc3C(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
PLA2G2A P14555 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSPO P30536 2/20 0.43
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK1 P53350 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
SCHEMBL8037882 0.98 LTA4H (0.48) LTA4HPLA2G2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL8037899 0.92 MAPT (0.51) LTA4HCYP1A2CYP2C19SMN1; SMN2TSPO
SCHEMBL8041238 0.88 LTA4H (0.51) LTA4HTSHRPLK1
SCHEMBL8041192 0.87 TSPO (0.41) LTA4HSMN1; SMN2TSPOMAPTRAB9A
SCHEMBL8039703 0.86 LTA4H (0.53) LTA4HMAPTL3MBTL1TSHRLMNA
SCHEMBL8039724 0.86 TSPO (0.41) SMN1; SMN2TSPOMAPTRAB9ATSHR
SCHEMBL8044175 0.85 TSPO (0.43) SMN1; SMN2TSPOMAPTTSHRTDP1
SCHEMBL6405714 0.85 ALOX5 (0.47) SMN1; SMN2TSPORAB9A
SCHEMBL6403207 0.84 TSPO (0.45) LTA4HSMN1; SMN2TSPOL3MBTL1TSHR
SCHEMBL8039723 0.81 PNLIP (0.47) TSPOMAPTTSHRTDP1LMNA

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed