SCHEMBL8044308

SCHEMBL8044308

CC(=O)N(c1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
LTA4H P09960 2/20 0.45
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
NSD2 O96028 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
TSPO P30536 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL6401909 0.90 PTPN1 (0.51) PTPN1MEN1KMT2ATSHRNSD2
SCHEMBL6403207 0.87 TSPO (0.45) PTPN1LTA4HNR1H2BAXMEN1
SCHEMBL6408806 0.86 ALOX5 (0.50) PTPN1TSPOALDH1A1
SCHEMBL8038284 0.86 ALDH1A1 (0.49) PTPN1LTA4HTSPOALDH1A1SMN1; SMN2
SCHEMBL8027747 0.86 ALDH1A1 (0.47) PTPN1MEN1KMT2ATSHRTSPO
SCHEMBL6407413 0.86 MEN1 (0.52) PTPN1MEN1KMT2ATSHRNSD2
SCHEMBL8041238 0.84 LTA4H (0.51) PTPN1LTA4HTSHR
SCHEMBL8041220 0.83 MTNR1A (0.41) PTPN1HPGDSMN1; SMN2
SCHEMBL8034169 0.82 PTPN1 (0.50) PTPN1MEN1KMT2ATSHRALDH1A1
SCHEMBL8039689 0.82 PTPN1 (0.38) PTPN1MEN1KMT2ATSHRLMNA

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