SCHEMBL6661144

SCHEMBL6661144

CCCc1ccc(C(F)(F)OC(C)c2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASR P41180 1/20 0.37
TACR1 P25103 2/20 0.34
PSMB5 P28074 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
MEN1 O00255 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6661128 0.94 KMT2A (0.36) KMT2AALDH1A1PSMB5TAAR1MEN1
SCHEMBL6663070 0.91 HTR2A (0.39) KMT2AALDH1A1LMNAGAACASR
SCHEMBL6666034 0.90 TSHR (0.34) KMT2AALDH1A1LMNATDP1PSMB5
SCHEMBL6660765 0.90 MEN1 (0.42) KMT2AALDH1A1PSMB5TAAR1MEN1
SCHEMBL6667003 0.88 LMNA (0.46) KMT2AALDH1A1LMNAGAATDP1
SCHEMBL6661968 0.87 HTR2A (0.40) ALDH1A1LMNAKDM4E
SCHEMBL6662750 0.87 HTR2A (0.40) ALDH1A1LMNAKDM4E
SCHEMBL6665133 0.85 ALDH1A1 (0.34) KMT2AALDH1A1CASRTAAR1MEN1
SCHEMBL6666707 0.85 PDE2A (0.42) KMT2AALDH1A1LMNAPSMB5MEN1
SCHEMBL6662181 0.84 KMT2A (0.33) KMT2ALMNAGAACASRPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed