SCHEMBL8599550

SCHEMBL8599550

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
RAB9A P51151 7/20 0.56
MAPK1 P28482 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
SMN1; SMN2 Q16637 7/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
STAT3 P40763 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50

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
SCHEMBL7176133 0.92 RAB9A (0.59) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL8652421 0.91 RAB9A (0.54) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL8748351 0.91 RAB9A (0.57) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL8654517 0.89 RAB9A (0.53) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL1592379 0.89 RAB9A (0.53) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL1592407 0.89 RAB9A (0.53) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL1592334 0.89 RAB9A (0.53) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL1593183 0.89 RAB9A (0.53) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL1592377 0.89 RAB9A (0.53) HPGDRAB9AMAPK1CYP1A2CYP2C9
SCHEMBL1592889 0.89 RAB9A (0.53) HPGDRAB9AMAPK1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP disclosed
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
US-5466655-A STORAGE STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1995-11-14 US disclosed
EP-0675002-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1995-10-04 EP disclosed
EP-0630758-A2 Heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1994-12-28 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