SCHEMBL8202014

SCHEMBL8202014

CCCCCCCCCOC(=O)c1ccc(-c2cc(OC(=O)CCCCCCCCC)ccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.53
STS P08842 6/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RARB P10826 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8190501 0.87 RARB (0.47) PTPN11ALDH1A1RARBLMNATSHR
SCHEMBL8201152 0.87 RARB (0.47) PTPN11ALDH1A1RARBLMNATSHR
SCHEMBL8201029 0.87 RARB (0.47) PTPN11ALDH1A1RARBLMNATSHR
SCHEMBL8197939 0.84 ALDH1A1 (0.50) PTPN11ALDH1A1NPC1RAB9ARARB
SCHEMBL8200970 0.84 ALDH1A1 (0.50) PTPN11ALDH1A1NPC1RAB9ARARB
SCHEMBL8213916 0.84 ALDH1A1 (0.50) PTPN11ALDH1A1NPC1RAB9ARARB
SCHEMBL8196397 0.84 ALDH1A1 (0.47) PTPN11ALDH1A1NPC1RAB9ARARB
SCHEMBL8197823 0.84 ALDH1A1 (0.50) PTPN11ALDH1A1NPC1RAB9ARARB
SCHEMBL8190260 0.84 ALDH1A1 (0.50) PTPN11ALDH1A1NPC1RAB9ARARB
SCHEMBL8201147 0.84 ALDH1A1 (0.50) PTPN11ALDH1A1NPC1RAB9ARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018070-A WHEN INCORPORATED AS A COMPONENT FOR AN ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION THE NOVEL TWO-RING-CONTAINING COMPOUND INCREASES THE RESPONSE SPEED OF THE COMPOSITION IN A BROAD TEMPERATURE RANGE MITSUBISHI GAS CHEMICALS COMPANY, INC. (JP) 2000-01-25 US disclosed
US-5660762-A HIGH DISPLAY QUALITY IN BROAD TEMPERATURE RANGE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-08-26 US disclosed
EP-0718274-A1 Two-rings-containing phenyl ester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-06-26 EP disclosed