SCHEMBL17616205

SCHEMBL17616205

CCCC1CCC(C(=O)c2ccc(OCC)c(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
MRGPRX1 Q96LB2 2/20 0.34
TSPO P30536 1/20 0.34
MELK Q14680 1/20 0.33

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
SCHEMBL26044891 0.96 HTT (0.39) HTTTDP1ALDH1A1CYP2C9BLM
SCHEMBL26044864 0.93 CNR1 (0.38) HTTTDP1ALDH1A1CYP2C9MAPT
SCHEMBL26044868 0.93 HTT (0.39) HTTTDP1ALDH1A1BLMDRD2
SCHEMBL26044878 0.91 HTT (0.39) HTTTDP1ALDH1A1CYP2C9BLM
SCHEMBL16979248 0.91 HTT (0.39) HTTTDP1ALDH1A1CYP2C9BLM
SCHEMBL26044865 0.91 CCNE2 (0.40) HTTTDP1ALDH1A1CYP2C9MAPT
SCHEMBL26044867 0.90 CNR1 (0.40) CYP2C9MEN1KMT2AMAPTLMNA
SCHEMBL26044858 0.90 HTT (0.42) HTTTDP1ALDH1A1BLMMEN1
SCHEMBL16983538 0.89 VEGFA (0.38) HTTTDP1ALDH1A1CYP2C9BLM
SCHEMBL16983539 0.89 HTT (0.38) HTTTDP1ALDH1A1CYP2C9BLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed
US-9580652-B2 Liquid crystal compound, liquid crystal composition including the same and liquid crystal display including the liquid crystal composition SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20160083653-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed