(Chloromethyl)Benzene

(Chloromethyl)Benzene

SCHEMBL29136077

CCC(N)=O.ClCc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
KMT2A Q03164 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
LMNA P02545 2/20 0.40
EPHX1 P07099 1/20 0.40
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS2 P35228 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
(Chloromethyl)Benzene SCHEMBL27959241 0.87 ALDH1A1 (0.48) PLA2G10PLA2G2ACES2CES1AKR1B1
(Chloromethyl)Benzene SCHEMBL27525410 0.87 ALDH1A1 (0.48) PLA2G10PLA2G2ACES2CES1AKR1B1
(Chloromethyl)Benzene SCHEMBL27624896 0.87 AKR1B1 (0.50) KMT2ACES2CES1AKR1B1TP53
(Chloromethyl)Benzene SCHEMBL11587216 0.87 ALDH1A1 (0.46) PLA2G10PLA2G2AKMT2ACES2CES1
(Chloromethyl)Benzene SCHEMBL27536376 0.87 PLA2G10 (0.48) PLA2G10PLA2G2AKMT2ACES2CES1
(Chloromethyl)Benzene SCHEMBL27460600 0.85 HSD11B1 (0.46) KMT2ACES2CES1AKR1B1TP53
(Chloromethyl)Benzene SCHEMBL27655795 0.85 ALDH1A1 (0.45) KMT2ACES2CES1AKR1B1TP53
(Chloromethyl)Benzene SCHEMBL27562557 0.82 ALDH1A1 (0.52) KMT2ACES2CES1AKR1B1ALDH1A1
(Chloromethyl)Benzene SCHEMBL27410445 0.82 ALDH1A1 (0.52) KMT2ACES2CES1AKR1B1ALDH1A1
(Chloromethyl)Benzene SCHEMBL15574669 0.82 NOS2 (0.41) PLA2G10PLA2G2ACES2CES1AKR1B1

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
CN-117136202-A Fluorine-based resin, composition, photocrosslinked product, and electronic device provided with same 东曹株式会社 2023-11-28 CN disclosed