SCHEMBL20117586

SCHEMBL20117586

CCOc1ccc2c(c1F)-c1c-2cc(CCC2CCC(C)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 2/20 0.31
QRFPR Q96P65 1/20 0.31
FGFR2 P21802 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL20111248 0.91 QRFPR (0.36) ALDH1A1KDM1AQRFPR
SCHEMBL20102468 0.89 HPGD (0.30) KDM1AQRFPR
SCHEMBL20111710 0.88 HPGD (0.33) ALDH1A1QRFPR
SCHEMBL20117668 0.87 ACHE (0.30) ALDH1A1
SCHEMBL20102469 0.87
SCHEMBL20102549 0.86
SCHEMBL20117659 0.86 FGFR2 (0.30) FGFR2
SCHEMBL16270061 0.84 ALDH1A1 (0.34) ALDH1A1KDM1AGRIN1GRIN2BFFAR4
SCHEMBL20111478 0.84 HPGD (0.34)
SCHEMBL20111639 0.83 CCNT1 (0.32) ALDH1A1

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-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed