SCHEMBL8037899

SCHEMBL8037899

COC(=O)c1ccccc1N(C(C)=O)c1ccc(Oc2ccc(OCCOc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
TSPO P30536 2/20 0.49
LTA4H P09960 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARA Q07869 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL8037870 0.92 LTA4H (0.46) MAPTRAB9ATSPOLTA4HTDP1
SCHEMBL8037882 0.90 LTA4H (0.48) MAPTTSPOLTA4HTSHRCYP1A2
SCHEMBL8038284 0.89 ALDH1A1 (0.49) MAPTRAB9ATSPOLTA4HALDH1A1
SCHEMBL6405714 0.89 ALOX5 (0.47) RAB9ATSPOALDH1A1SMN1; SMN2PPARG
SCHEMBL8041192 0.88 TSPO (0.41) MAPTRAB9ATSPOLTA4HTDP1
SCHEMBL8044175 0.86 TSPO (0.43) MAPTTSPOTDP1TSHRALDH1A1
SCHEMBL6403207 0.85 TSPO (0.45) TSPOLTA4HTDP1TSHRALDH1A1
SCHEMBL8039724 0.84 TSPO (0.41) MAPTRAB9ATSPOTDP1TSHR
SCHEMBL8039723 0.82 PNLIP (0.47) MAPTTSPOTDP1TSHRALDH1A1
SCHEMBL8041238 0.82 LTA4H (0.51) LTA4HTSHRPPARA

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