SCHEMBL7945142

SCHEMBL7945142

CCC(CC)COC(=O)c1ccc(OC(C)=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LMNA P02545 1/20 0.40
TMPRSS15 P98073 1/20 0.39
MAOB P27338 3/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL7945126 0.82 ALDH1A1 (0.44) ALDH1A1MAPK1TSHRCA2CYP3A4
SCHEMBL7766592 0.81 KDM4E (0.43) MAPK1CYP3A4KDM4EPRSS1LMNA
SCHEMBL7945136 0.81 CA2 (0.49) ALDH1A1MAPK1TSHRCA2CYP3A4
SCHEMBL7755291 0.80 PRSS1 (0.39) ALDH1A1MAPK1KDM4EPRSS1TMPRSS15
SCHEMBL7755287 0.80 PRSS1 (0.39) ALDH1A1MAPK1KDM4EPRSS1TMPRSS15
SCHEMBL6933181 0.79 GABRA1 (0.42) ALDH1A1MAPK1KDM4EPRSS1LMNA
SCHEMBL7778239 0.77 RARB (0.48) ALDH1A1MAPK1TSHRCYP3A4PRSS1
SCHEMBL7789225 0.75 PRSS1 (0.41) ALDH1A1MAPK1KDM4EPRSS1TMPRSS15
SCHEMBL6937258 0.75 PRSS1 (0.42) ALDH1A1MAPK1CYP3A4KDM4EPRSS1
SCHEMBL6937264 0.75 PRSS1 (0.42) ALDH1A1MAPK1CYP3A4KDM4EPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258296-B1 HAS SMALL SPONTANEOUS POLARIZATION AND HAS EXCELLENT RESPONSE CHARACTERISTICS FOR MAKING HIGH QUALITY FERRIELECTRIC LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL COMPANY INC (JP) 2001-07-10 US disclosed
EP-1008585-A1 FLUORINE-SUBSTITUTED COMPOUNDS AND FERRIELECTRIC LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-06-14 EP disclosed