SCHEMBL17997263

SCHEMBL17997263

O=C(c1ccc(Br)cc1F)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
CCR1 P32246 3/20 0.46
CCR2 P41597 3/20 0.46
CPS1 P31327 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30833732 0.93 DGAT1 (0.58) DGAT1CCR1CCR2CPS1ALDH1A1
SCHEMBL13427 0.93 DGAT1 (0.58) DGAT1CCR1CCR2CPS1ALDH1A1
SCHEMBL30619309 0.86 DGAT1 (0.50) DGAT1CCR1CCR2CPS1ALDH1A1
SCHEMBL873620 0.83 ALDH1A1 (0.42) DGAT1CCR1CCR2ALDH1A1LMNA
SCHEMBL20473911 0.81 DGAT1 (0.49) DGAT1CCR1CCR2ALDH1A1LMNA
SCHEMBL21414817 0.81 DGAT1 (0.49) DGAT1CCR1CCR2ALDH1A1LMNA
SCHEMBL25804407 0.81 DGAT1 (0.49) DGAT1CCR1CCR2ALDH1A1LMNA
SCHEMBL20473896 0.81 DGAT1 (0.49) DGAT1CCR1CCR2ALDH1A1LMNA
SCHEMBL26187493 0.81 DGAT1 (0.49) DGAT1CPS1ALDH1A1LMNANPC1
SCHEMBL1260625 0.81 CES2 (0.43) CCR1CCR2LMNANPC1GAA

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-9540565-B2 Liquid crystal compounds containing dibenzopyran derivatives of naphthenic base and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2017-01-10 US disclosed
US-20160230092-A1 LIQUID CRYSTAL COMPOUNDS CONTAINING DIBENZOPYRAN DERIVATIVES OF NAPHTHENIC BASE AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD (CN) 2016-08-11 US disclosed