Benzene

Benzene

SCHEMBL28060679

CCC(C(=O)c1ccccc1)c1ccccc1.CCCCC(C)=O.c1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL50454 0.86 LMNA (0.80) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
Hydrochloric Acid SCHEMBL3647676 0.84 LMNA (0.77) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
SCHEMBL11655496 0.80 LMNA (0.57) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
SCHEMBL3632556 0.78 LMNA (0.50) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
Benzoic Acid SCHEMBL28961676 0.77 CES2 (0.59) ALDH1A1CES2CES1MEN1TP53
SCHEMBL12135182 0.76 LMNA (0.76) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
SCHEMBL9774496 0.76 LMNA (0.87) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
SCHEMBL2058633 0.76 LMNA (1.00) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
SCHEMBL1989880 0.76 LMNA (0.56) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2
SCHEMBL6203195 0.76 LMNA (0.60) LMNAHSD17B10ALDH1A1SMN1; SMN2CES2

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-105829376-A Process for Preparing Water-Emulsifiable Polyurethane Acrylates 巴斯夫欧洲公司 2016-08-03 CN disclosed