SCHEMBL20111091

SCHEMBL20111091

CCCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(OCF)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
MEN1 O00255 3/20 0.34
MAPK1 P28482 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
ESR2 Q92731 2/20 0.32
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RARA P10276 1/20 0.31

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
SCHEMBL20111090 0.97 CYP2C9 (0.34) CYP2C9FFAR4MEN1MAPK1KMT2A
SCHEMBL20111085 0.97 CYP2C9 (0.37) CYP2C9FFAR4MEN1MAPK1KMT2A
SCHEMBL18310492 0.93 CYP2C9 (0.41) CYP2C9FFAR4MEN1MAPK1KMT2A
SCHEMBL20111084 0.93 CYP2C9 (0.36) CYP2C9FFAR4MEN1MAPK1KMT2A
SCHEMBL17072358 0.90 CYP2C9 (0.44) CYP2C9FFAR4MEN1MAPK1KMT2A
SCHEMBL13128374 0.90 CYP2C9 (0.44) CYP2C9FFAR4MEN1MAPK1KMT2A
SCHEMBL20111089 0.89 FFAR4 (0.33) CYP2C9FFAR4ALDH1A1HRH3ESR2
SCHEMBL13128373 0.88 CYP1A2 (0.33) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL19542828 0.88 FFAR4 (0.36) CYP2C9FFAR4MEN1MAPK1KMT2A
SCHEMBL20111094 0.88 CYP2C9 (0.31) CYP2C9FFAR4MEN1MAPK1KMT2A

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-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed