(Chloromethyl)Benzene

(Chloromethyl)Benzene

SCHEMBL28005139

COc1ccc(CCl)cc1.ClCc1ccccc1

nearest known ligand 0.69

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.69
SIGMAR1 Q99720 2/20 0.61
CA4 P22748 1/20 0.54
HTT P42858 2/20 0.53
TTR P02766 1/20 0.51
IDO1 P14902 1/20 0.50
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
Anisole SCHEMBL27729441 0.93 CA4 (0.64) LTA4HSIGMAR1CA4HTTTTR
SCHEMBL13096 0.91 IDO1 (0.58) LTA4HSIGMAR1HTTIDO1CA12
Benzyl Bromide SCHEMBL7063795 0.91 LTA4H (0.58) LTA4HSIGMAR1CA4HTTTTR
SCHEMBL1657653 0.89 IDO1 (0.56) LTA4HSIGMAR1HTTIDO1CA12
SCHEMBL467215 0.89 IDO1 (0.56) LTA4HSIGMAR1HTTIDO1CA12
SCHEMBL1043929 0.87 LTA4H (0.53) LTA4HSIGMAR1CA4HTTTTR
SCHEMBL2996706 0.84 MAOB (0.59) LTA4HIDO1NPC1TDP1RAB9A
SCHEMBL6157954 0.84 LTA4H (0.54) LTA4HHTTTTRIDO1CA12
SCHEMBL8993257 0.84 LTA4H (0.65) LTA4HIDO1CA12CA1CA2
Pyridine SCHEMBL4740734 0.84 LTA4H (0.50) LTA4HSIGMAR1CA4TTRIDO1

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
CN-104418717-B A kind of preparation method of P-methoxybenzal-dehyde 宿迁科思化学有限公司 2016-07-13 CN disclosed
CN-104418717-A Preparation method of p-anisaldehyde SUQIAN KESI CHEM CO LTD 2015-03-18 CN disclosed