Benzene

Benzene

SCHEMBL28938992

CC(C=O)Cc1ccc(C(C)(C)C)cc1.c1ccccc1

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.93
TSHR P16473 1/20 0.93
COPS5 Q92905 1/20 0.44
ACACB O00763 2/20 0.42
GRIA4 P48058 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESRRG P62508 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
EPHX1 P07099 5/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MCL1 Q07820 1/20 0.39
BCHE P06276 1/20 0.39
BACE1 P56817 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
SCHEMBL13453994 0.96 TP53 (1.00) TP53TSHRCOPS5ACACBGRIA4
SCHEMBL81866 0.96 TP53 (1.00) TP53TSHRCOPS5ACACBGRIA4
SCHEMBL16880397 0.96 TP53 (1.00) TP53TSHRCOPS5ACACBGRIA4
SCHEMBL4428387 0.91 TP53 (0.90) TP53TSHRCOPS5ACACBGRIA4
SCHEMBL11459417 0.86 TP53 (0.70) TP53TSHRALDH1A1MEN1KMT2A
SCHEMBL5091992 0.85 TP53 (0.79) TP53TSHRCOPS5ACACBGRIA4
SCHEMBL30516558 0.85 TP53 (0.78) TP53TSHRCOPS5ACACBGRIA4
SCHEMBL8338244 0.84 TP53 (0.77) TP53TSHRCOPS5ACACBGRIA4
Cinnamic Alcohol SCHEMBL20528266 0.84 TP53 (0.65) TP53TSHRCOPS5ALDH1A1MAPT
Cinnamic Alcohol SCHEMBL20528268 0.84 TP53 (0.65) TP53TSHRCOPS5ALDH1A1MAPT

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-115616204-A Method and system for identifying polyethylene terephthalate reclaimed materials 金发科技股份有限公司 2023-01-17 CN disclosed