Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL28080834

CCCCn1cc(-c2ccccc2)c(-c2ccccc2)c1C(=O)C=O.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.43
▸ CNR1 P21554 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ CDC25A P30304 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ICMT O60725 1/20 0.36
▸ SOAT1 P35610 2/20 0.36

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
SCHEMBL28080840 0.86 COMT (0.41) —
SCHEMBL28831833 0.83 GPR52 (0.40) ALDH1A1KDM4E
SCHEMBL28080836 0.80 F2RL3 (0.39) ALDH1A1TSHR
SCHEMBL28080837 0.78 TEAD3 (0.40) CNR2CNR1
SCHEMBL28080900 0.75 LMNA (0.39) ALDH1A1KDM4E
SCHEMBL28080903 0.75 ALDH1A1 (0.43) CNR2ALDH1A1KDM4EBCL2
SCHEMBL28080891 0.74 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL28080966 0.74 GFER (0.46) ALDH1A1
SCHEMBL27525665 0.74 CNR2 (0.52) CNR2CNR1ALDH1A1KDM4EHSD17B10
SCHEMBL28080828 0.72 CCR2 (0.46) —

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-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 — — CN disclosed