SCHEMBL9149403

SCHEMBL9149403

O=C(Nc1ccc(C(=O)O)c(O)c1)OCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
MAPK1 P28482 4/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
KMT2A Q03164 6/20 0.55
PKM P14618 1/20 0.55
KDM4E B2RXH2 5/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL9149736 0.90 KDM4E (0.69) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL9149732 0.88 RAB9A (0.66) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL9147252 0.85 RAB9A (0.61) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL8603028 0.82 MAPT (0.78) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL1129167 0.81 NPC1 (0.59) RAB9AMAPK1HPGDHSD17B10KMT2A
SCHEMBL2293225 0.81 MGLL (0.60) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL8652810 0.81 MAPT (0.76) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL8748204 0.80 MGLL (0.59) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL8602686 0.79 RAB9A (0.70) RAB9AMAPK1HPGDHSD17B10CYP1A2
SCHEMBL9151596 0.79 MGLL (0.62) RAB9AMAPK1HPGDHSD17B10CYP1A2

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed