SCHEMBL14449822

SCHEMBL14449822

Cc1ccc2c(c1)OCC(F)(F)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MMP12 P39900 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HTR5A P47898 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL11926955 0.86 HTR1A (0.38) HTR1ASLC6A2HTR2CHTR2BSIGMAR1
SCHEMBL14449366 0.84 HTR2B (0.37) HTR1ASLC6A2HTR2CHTR2BSIGMAR1
SCHEMBL5985680 0.80 HTR2B (0.39) HTR1ASLC6A2HTR2CHTR2BSIGMAR1
SCHEMBL12301085 0.78 KDM4E (0.36) HTR2CMMP12ALDH1A1GAAMAPT
SCHEMBL12233255 0.73 KDM4E (0.35) HTR2CMMP12ALDH1A1GAAKDM4E
SCHEMBL20994730 0.72 ADRA2A (0.40) ALDH1A1GAAMAPTKDM4EHTR5A
SCHEMBL16142345 0.71 — —
SCHEMBL14449365 0.70 HTR2B (0.37) HTR1ASLC6A2HTR2CHTR2BSIGMAR1
SCHEMBL14449367 0.70 KDM4E (0.33) HTR2CMMP12ALDH1A1GAAMAPT
SCHEMBL8533498 0.70 — —

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-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 — — US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 — — US disclosed
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