SCHEMBL19985477

SCHEMBL19985477

CCCC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
FPR2 P25090 6/20 0.37
CYP2C9 P11712 1/20 0.35
DRD2 P14416 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
OPRL1 P41146 1/20 0.33
PDE5A O76074 1/20 0.32
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32

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
SCHEMBL14234681 0.95 ALDH1A1 (0.41) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL8934885 0.94 FPR2 (0.37) ALDH1A1MAPTHTTFPR2CYP2C9
SCHEMBL17614874 0.93 ALDH1A1 (0.40) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL19985479 0.92 FPR2 (0.36) ALDH1A1MAPTHTTFPR2CYP2C9
SCHEMBL19985495 0.91 MAPT (0.36) ALDH1A1MAPTHTTFPR2DRD2
SCHEMBL18134229 0.91 ALDH1A1 (0.39) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL8072011 0.91 ALDH1A1 (0.39) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL8961759 0.91 FPR2 (0.36) ALDH1A1MAPTHTTFPR2CYP2C9
SCHEMBL19985501 0.90 GAA (0.38) MAPTFPR2MEN1KMT2AACHE
SCHEMBL19985518 0.90 GAA (0.38) MAPTFPR2MEN1KMT2AACHE

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed