SCHEMBL5499018

SCHEMBL5499018

CC1CCc2c(C(=O)O)ccc(C(=O)O)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
TNF P01375 2/20 0.39
NOD1 Q9Y239 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL4916533 0.86 CYP1A2 (0.44) KMT2AALDH1A1CYP1A2CASP1SMN1; SMN2
SCHEMBL250425 0.84 CYP1A2 (0.40) KMT2AALDH1A1NPC1RAB9AL3MBTL1
Phthalic Acid SCHEMBL6667351 0.78 ALDH1A1 (0.44) KMT2AALDH1A1NPC1RAB9AL3MBTL1
Maleic Acid SCHEMBL9283503 0.77 NPC1 (0.38) KMT2AALDH1A1NPC1RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL9277672 0.76 ALDH1A1 (0.35) KMT2AALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL21688 0.75 CYP1A2 (0.63) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL29769278 0.75 CYP1A2 (0.63) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL5145610 0.74 HCAR2 (0.40) KMT2AALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL370115 0.74 CYP1A2 (0.44) KMT2AALDH1A1CYP1A2KDM4EHPGD
SCHEMBL375164 0.74 PARP1 (0.41) ALDH1A1NPC1RAB9AL3MBTL1KDM4E

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
CN-107121902-B Toner compositions and methods 施乐公司 2020-11-27 CN claimed
EP-1246210-B1 Electrical apparatus TOSHIBA LIGHTING & TECHNOLOGY (JP) 2007-10-24 EP claimed
EP-0064007-B1 IONIC POLYESTERS, ELECTRICALLY PHOTOSENSITIVE COMPOSITE PARTICLES AND MATERIALS CONTAINING THE POLYESTERS AND PHOTOELECTROPHORETIC IMAGING METHODS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-01-22 EP claimed
CN-107121902-B Toner compositions and methods 施乐公司 2020-11-27 CN disclosed
US-5391452-A Polyester toner and developer compositions XEROX CORPORATION (US) 1995-02-21 US disclosed