SCHEMBL3267692

SCHEMBL3267692

C=C(C)c1ccccc1.C=C(C)c1ccccc1.C=C(C)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
ESR1 P03372 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ELANE P08246 1/20 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
Hydrogen Peroxide SCHEMBL7249472 1.00 CES2 (0.48) CES2CES1LMNAMAPTMEN1
SCHEMBL472891 1.00 CES2 (0.48) CES2CES1LMNAMAPTMEN1
Benzene SCHEMBL28197619 1.00 CES2 (0.48) CES2CES1LMNAMAPTMEN1
SCHEMBL6577 1.00
SCHEMBL1331472 1.00
SCHEMBL2905282 1.00
Hydrochloric Acid SCHEMBL6015469 0.97 CES2 (0.46) CES2CES1LMNAMAPTMEN1
SCHEMBL8015501 0.97 CES2 (0.46) CES2CES1LMNAMAPTMEN1
SCHEMBL11713491 0.97 CES2 (0.46) CES2CES1LMNAMAPTMEN1
SCHEMBL11701025 0.97 CES2 (0.46) CES2CES1LMNAMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265961-B2 PROCESS FOR PREPARING THERMOPLASTIC RESIN HAVING SUPERIOR HEAT-STABILITY LG CHEMICAL LTD (KR) 2010-06-16 EP claimed
EP-1265961-B1 PROCESS FOR PREPARING THERMOPLASTIC RESIN HAVING SUPERIOR HEAT-STABILITY LG CHEMICAL LTD (KR) 2006-03-15 EP claimed
US-6774182-B2 EMULSION ADDITION TERPOLYMERIZATION OF CONJUGATED DIENE RUBBER LATEX, AROMATIC VINYL COMPOUND, AND VINYL CYANIDE; BLENDING WITH ACRYLONITRILE-METHYLSTYRENE/A-/ COPOLYMER; IMPACT STRENGTH, WORKABILITY LG CHEMICAL CO., LTD. (KR) 2004-08-10 US claimed
US-20030018125-A1 Process for preparing thermoplastic resin having superior heat-stability LG CHEMICAL CO., LTD. (KR) 2003-01-23 US claimed