Toluene

Toluene

SCHEMBL8926533

C=COC(=O)C(=C)CCCC.Cc1ccccc1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
PTGS2 P35354 1/20 0.34
IAPP P10997 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL3841843 0.84 CES1 (0.39) CES2CES1ALDH1A1ATMTSHR
Acetic Acid SCHEMBL27955148 0.83 TSHR (0.37) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL29061729 0.78 TSHR (0.47) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL31380092 0.78 TSHR (0.47) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL258133 0.77 EGFR (0.42) CES2CES1MEN1KMT2AKDM4E
Toluene SCHEMBL8927127 0.77 ELANE (0.42) CES2CES1MEN1KMT2AKDM4E
SCHEMBL10770689 0.76 CES2 (0.45) CES2CES1MEN1KMT2AKDM4E
Styrene SCHEMBL7932257 0.74 MEN1 (0.40) CES2CES1MEN1KMT2AKDM4E
SCHEMBL3477218 0.74 KDM4E (0.45) CES2CES1MEN1KMT2AKDM4E
SCHEMBL7770241 0.74 ALDH1A1 (0.36) CES2CES1ALDH1A1TSHR

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
US-5629367-A Method of making pigment concentrate particles and product of same EASTMAN KODAK COMPANY (US) 1997-05-13 US disclosed