SCHEMBL9008317

SCHEMBL9008317

CC(=O)c1ccccc1C(C)=O.[Zn]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
BRD4 O60885 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
PBRM1 Q86U86 1/20 0.46
MEN1 O00255 1/20 0.46
NSD2 O96028 1/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL279655 0.97 ALDH1A1 (0.53) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL7596837 0.94 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL11373632 0.94 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
Acetaldehyde SCHEMBL28033514 0.89 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL1099217 0.88 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL4975385 0.88 CES2 (0.50) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL9520491 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL11406969 0.87 KDM4E (0.41) ALDH1A1ALOX15KDM4ESMN1; SMN2LMNA
SCHEMBL286653 0.86 ALDH1A1 (0.74) ALDH1A1ALOX15KDM4ESMN1; SMN2KMT2A
Benzene SCHEMBL11756425 0.86 ALDH1A1 (0.74) ALDH1A1ALOX15KDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331095-B1 Improving stability at moderate temperatures of motor vehicle components shaped from polyvinyl chloride resin compositions WITCO CORP (US) 1996-10-09 EP disclosed
EP-0331095-A1 Improving stability at moderate temperatures of motor vehicle components shaped from polyvinyl chloride resin compositions WITCO CORPORATION (US) 1989-09-06 EP disclosed
US-4282141-A DISCOLORATION INHIBITION FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-08-04 US disclosed
US-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed
US-4244848-A HEAT RESISTANT STABILIZERS COMPRISING AT LEAST ONE ZINC, DIALKYLTIN, ALKALI METAL OR ALKALINE EARTH METAL ORGANIC PHOSPHATE ESTER SALT AND AT LEAST ONE B-DIKETONE ARGUS CHEMICAL CORPORATION (US) 1981-01-13 US disclosed
US-4221687-A BASIC INORGANIC SALT, 1,3-DIKETONE, VINYL CHLORIDE POLYMER ARGUS CHEMICAL CORP. (US) 1980-09-09 US disclosed