Benzene

Benzene

SCHEMBL9850973

CC(=O)N[C@@H](C)C(=O)Nc1c(C)cccc1C.c1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.55
HSP90AA1 P07900 1/20 0.51
ANPEP P15144 1/20 0.48
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
CXCL8 P10145 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
NFKB1 P19838 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL13542699 0.84 ATM (0.55) ATMHSP90AA1ANPEPPOLBNPSR1
SCHEMBL12994766 0.81 ATM (0.55) ATMHSP90AA1ANPEPPOLBNPSR1
Benzene SCHEMBL9851001 0.81 ANPEP (0.51) ANPEPPOLBNPSR1LMNAHTT
SCHEMBL12832472 0.78 ATM (0.60) ATMHSP90AA1ANPEPPOLBNPSR1
SCHEMBL9594586 0.77 HDAC4 (0.43) LMNASMN1; SMN2CYP3A4ALDH1A1KMT2A
SCHEMBL9222065 0.77 HSD17B10 (0.59) ATMHSP90AA1POLBNPSR1LMNA
SCHEMBL6356591 0.77 ATM (0.58) ATMHSP90AA1ANPEPPOLBNPSR1
SCHEMBL11781761 0.77 ATM (0.51) ATMHSP90AA1ANPEPPOLBNPSR1
SCHEMBL9678826 0.76 CTSS (0.59) ATMHSP90AA1L3MBTL1SCN9A
SCHEMBL11415968 0.76 CTSK (0.56) ATMLMNAL3MBTL1KMT2AMEN1

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
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed