SCHEMBL7945126

SCHEMBL7945126

CCC(CC)COC(=O)c1ccc(OC(=O)c2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
EPHX2 P34913 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CYP3A4 P08684 2/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPT P10636 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7945142 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL7778239 0.81 RARB (0.48) ALDH1A1TSHRMAPK1TP53SMN1; SMN2
SCHEMBL6547169 0.76 ALDH1A1 (0.40) ALDH1A1TSHRKMT2AMAPT
SCHEMBL8676671 0.76 ALDH1A1 (0.47) ALDH1A1TSHRTP53HPGDSMN1; SMN2
SCHEMBL10397445 0.74 NPC1 (0.50) TSHRTP53SMN1; SMN2CYP3A4KMT2A
SCHEMBL9626831 0.74 NPC1 (0.50) TSHRTP53SMN1; SMN2CYP3A4KMT2A
SCHEMBL9626602 0.74 NPC1 (0.50) TSHRTP53SMN1; SMN2CYP3A4KMT2A
SCHEMBL9627217 0.74 NPC1 (0.50) TSHRTP53SMN1; SMN2CYP3A4KMT2A
SCHEMBL10397695 0.74 NPC1 (0.50) TSHRTP53SMN1; SMN2CYP3A4KMT2A
SCHEMBL9627761 0.74 NPC1 (0.50) TSHRTP53SMN1; SMN2CYP3A4KMT2A

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-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
JP-2000016970-A SWALLOW TAIL-TYPE COMPOUND AND FERRIDIELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI GAS CHEM CO INC 2000-01-18 JP disclosed