SCHEMBL20117885

SCHEMBL20117885

CCOc1ccc2c(c1F)-c1c(F)cc(C3CCC(C)CC3)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
FGFR2 P21802 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FPR2 P25090 3/20 0.32
FASN P49327 1/20 0.32
ESR2 Q92731 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL20117597 0.83 ALDH1A1 (0.34) KDM1AFGFR2ALDH1A1FPR2
SCHEMBL9015050 0.79 FASN (0.45) KDM1AFGFR2ALDH1A1FPR2FASN
SCHEMBL20102452 0.79 KDM1A (0.34) KDM1AFGFR2ALDH1A1FPR2
SCHEMBL12716160 0.78 KDM1A (0.58) KDM1AALDH1A1FASNESR2LMNA
SCHEMBL20102453 0.77 KDM1A (0.36) KDM1AFGFR2ALDH1A1FPR2PTGS1
SCHEMBL20111285 0.77 HPGD (0.36) KDM1AFGFR2ALDH1A1HPGDPTGDR2
SCHEMBL20111270 0.77 HPGD (0.36) KDM1AFGFR2ALDH1A1HPGDPTGDR2
SCHEMBL20111294 0.76 CAMKK1 (0.35) ALDH1A1PTGS2
SCHEMBL28559153 0.76 ESR2 (0.41) KDM1AFGFR2ALDH1A1FPR2FASN
SCHEMBL10052063 0.76 ESR2 (0.41) KDM1AFGFR2ALDH1A1FPR2FASN

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