SCHEMBL19466366

SCHEMBL19466366

CCOc1ccc(OCC2=CCC(C3CCCCC3)OC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 7/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
KDM1A O60341 2/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL18015232 0.89 ALDH1A1 (0.32) ALDH1A1KDM1A
SCHEMBL18006872 0.84
SCHEMBL19466354 0.82 ALDH1A1 (0.32) APOBEC3GALDH1A1HPGDLMNAHTT
SCHEMBL18006632 0.81
SCHEMBL18015239 0.80 KDM1A (0.33) ALDH1A1TSHRHSD17B10KDM1A
SCHEMBL18006843 0.77
SCHEMBL18006998 0.76
SCHEMBL19466422 0.76 ALDH1A1 (0.30) ALDH1A1HPGDLMNAHTTTSHR
SCHEMBL18007025 0.75 HTR2A (0.30)
SCHEMBL18006947 0.74

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
US-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed