SCHEMBL8027754

SCHEMBL8027754

C=CCCOc1ccc(Oc2ccc(N(C(C)=O)c3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARA Q07869 1/20 0.37
PTPN1 P18031 2/20 0.37
TSHR P16473 1/20 0.37
LSS P48449 1/20 0.36
NSD2 O96028 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL8041192 0.89 TSPO (0.41) ALDH1A1L3MBTL1KDM4ESMN1; SMN2GLA
SCHEMBL8038284 0.89 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9ALTA4HPPARA
SCHEMBL8041238 0.86 LTA4H (0.51) LTA4HPPARAPTPN1TSHR
SCHEMBL8039703 0.84 LTA4H (0.53) L3MBTL1LTA4HPTPN1TSHRLMNA
SCHEMBL6408806 0.82 ALOX5 (0.50) ALDH1A1PPARAPTPN1
SCHEMBL8041220 0.81 MTNR1A (0.41) SMN1; SMN2PTPN1
SCHEMBL8044308 0.80 PTPN1 (0.45) ALDH1A1L3MBTL1SMN1; SMN2LTA4HMEN1
SCHEMBL8044214 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2APTPN1TSHR
SCHEMBL8037899 0.79 MAPT (0.51) ALDH1A1L3MBTL1SMN1; SMN2RAB9ALTA4H
SCHEMBL6407413 0.77 MEN1 (0.52) ALDH1A1L3MBTL1KDM4EMEN1KMT2A

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