SCHEMBL9150484

SCHEMBL9150484

O=C(Nc1ccc(C(=O)O)c(O)c1)OCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MGLL Q99685 3/20 0.49
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL9151596 0.89 MGLL (0.62) PKMKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL2293225 0.89 MGLL (0.60) PKMKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL8748204 0.87 MGLL (0.59) PKMKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL9147252 0.84 RAB9A (0.61) PKMKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL9149732 0.82 RAB9A (0.66) PKMKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL3443629 0.81 NPC1 (0.69) KMT2ARAB9AMGLLNPC1SMN1; SMN2
SCHEMBL1997850 0.81 PTPRC (0.60) PKMKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9147746 0.81 KMT2A (0.49) PKMKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL8604682 0.81 KMT2A (0.54) PKMKMT2ARAB9ACYP1A2CYP2D6
SCHEMBL9146924 0.81 RAB9A (0.51) PKMKMT2ARAB9ACYP1A2CYP2D6

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