Vinyl Chloride

Vinyl Chloride

SCHEMBL7915756

C=CC(=O)C=Cc1ccccc1.C=CCl

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
CYP1A2 P05177 3/20 0.67
PLIN1 O60240 2/20 0.67
LMNA P02545 2/20 0.67
RECQL P46063 2/20 0.67
PLIN5 Q00G26 2/20 0.67
ABHD5 Q8WTS1 2/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP2C9 P11712 2/20 0.67
F3 P13726 2/20 0.67
CYP2D6 P10635 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GSR P00390 1/20 0.56
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
TNKS O95271 1/20 0.55

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
SCHEMBL4421926 0.94 MAPT (0.75) MAPTCYP1A2PLIN1LMNARECQL
SCHEMBL184544 0.94 MAPT (0.75) MAPTCYP1A2PLIN1LMNARECQL
SCHEMBL22076970 0.90 MAPT (0.76) MAPTCYP1A2PLIN1LMNARECQL
Butadiene SCHEMBL5702353 0.90 MAPT (0.69) MAPTCYP1A2PLIN1LMNARECQL
Vinyl Chloride SCHEMBL7912195 0.86 ALDH1A1 (0.50) MAPTCYP1A2PLIN1LMNARECQL
Acrylonitrile SCHEMBL2549054 0.84 MAPT (0.60) MAPTCYP1A2PLIN1LMNARECQL
SCHEMBL20518814 0.81 MAPT (1.00) MAPTCYP1A2PLIN1LMNARECQL
SCHEMBL20846 0.81 MAPT (1.00) MAPTCYP1A2PLIN1LMNARECQL
SCHEMBL20856054 0.81 MAPT (1.00) MAPTCYP1A2PLIN1LMNARECQL
SCHEMBL22146 0.81 MAPT (1.00) MAPTCYP1A2PLIN1LMNARECQL

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
US-6211894-B1 Image forming method KONICA CORPORATION (JP) 2001-04-03 US disclosed
EP-0858908-B1 Image forming method using metal chelates KONISHIROKU PHOTO IND (JP) 2000-11-29 EP disclosed
US-6040267-A Image forming method KONICA CORPORATION (JP) 2000-03-21 US disclosed
EP-0858908-A1 Image forming method using metal chelates KONICA CORPORATION (JP) 1998-08-19 EP disclosed