SCHEMBL8604682

SCHEMBL8604682

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP8 Q96LD8 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KDM4C Q9H3R0 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47

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
SCHEMBL8602530 0.89 KDM4C (0.64) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL15038407 0.88 TUBB4A (0.49) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL8599550 0.87 HPGD (0.56) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL9151257 0.85 KDM4C (0.60) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL7176133 0.85 RAB9A (0.59) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL8652016 0.85 LMNA (0.65) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL9146999 0.84 KMT2A (0.51) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL16704404 0.84 HPGD (0.48) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL11998903 0.84 HPGD (0.48) KMT2APKMCYP1A2CYP2D6CYP2C9
SCHEMBL8602686 0.84 RAB9A (0.70) KMT2APKMCYP1A2CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675002-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 1998-02-25 EP disclosed
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed
EP-0675002-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1995-10-04 EP disclosed
US-5346878-A Preservation stability of white portions and images MITSUI TOATSU CHEMICALS, INC. (JP) 1994-09-13 US disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed