Benzene

Benzene

SCHEMBL29048587

CC(=O)C(C)(C)C(C)C.c1cc2ccc1-2.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
FASN P49327 1/20 0.37

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
SCHEMBL803622 0.81
Carbamic Acid SCHEMBL10980935 0.77 ACHE (0.37) MAPTCYP1A2GAAALDH1A1LMNA
SCHEMBL2439195 0.72 L3MBTL1 (0.42) ALDH1A1LMNACYP2D6KMT2A
SCHEMBL2439193 0.72 L3MBTL1 (0.42) ALDH1A1LMNACYP2D6KMT2A
SCHEMBL2439196 0.72 L3MBTL1 (0.42) ALDH1A1LMNACYP2D6KMT2A
Biphenyl SCHEMBL27598131 0.72 SMN1; SMN2 (0.56) PTGS2SMN1; SMN2MAPTGAACYP2C9
SCHEMBL507732 0.70 CES1 (0.50) SMN1; SMN2MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL14632149 0.70 AOC3 (0.55) ALDH1A1LMNACYP2D6KMT2A
Acetic Acid SCHEMBL2473166 0.69 SMN1; SMN2 (0.57) PTGS2SMN1; SMN2MAPTGAALMNA
SCHEMBL27585462 0.68 PTGS2 (0.56) PTGS2SMN1; SMN2MAPTCYP1A2GAA

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-116574254-A Bismaleimide compound, composition containing the compound, polybenzoxazole, and semiconductor device 日本化药株式会社 2023-08-11 CN disclosed