SCHEMBL7594003

SCHEMBL7594003

C=C(C)C(=O)CCC.O=S(=O)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.48
CES2 O00748 7/20 0.48
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2750602 0.88
SCHEMBL18660173 0.76 CES1 (0.46) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL15759387 0.74 TDP1 (0.44) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL7594010 0.74 CES1 (0.32) CES1CES2
SCHEMBL10301528 0.73
SCHEMBL14752821 0.72
SCHEMBL2640879 0.71 CES1 (0.67) CES1CES2TSHRALDH1A1TDP1
SCHEMBL4069776 0.71 CES1 (0.36) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL812137 0.70
SCHEMBL8758526 0.70 CES1 (0.68) CES1CES2TSHRALDH1A1TDP1

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
US-6413694-B1 A POSITIVE-WORKING IMAGING MEMBER IS COMPOSED OF A HEAT-SENSITIVE SURFACE IMAGEABLE LAYER HAVING A HEAT-SENSITIVE POLYMER CONTAINING HEAT ACTIVATABLE SULFOIMINO, SULOALKYL OR SULFOAMIDE GROUP; A PHOTOTHERMAL CONVERSION DYE OR KODAK POLYCHROME GRAPHICS LLC 2002-07-02 US disclosed
US-20020048718-A1 PROCESSLESS IMAGING MEMBER CONTAINING HEAT SENSITIVE SULFONATE POLYMER AND METHODS OF USE KODAK (NEAR EAST) INC. 2002-04-25 US disclosed
EP-1140516-A1 THERMOSENSITIVE, POLYMERIC IMAGE RECORDING MATERIAL AND METHOD FOR USE Kodak Polychrome Graphics Company Ltd. (US) 2001-10-10 EP disclosed
EP-1084861-A2 Processless imaging material containing heat-sensitive sulphonate polymer Kodak Polychrome Graphics Company Ltd. (US) 2001-03-21 EP disclosed
US-6146812-A HEAT-SENSITIVE POLYMER CAPABLE OF UNDERGOING TRANSFORMATION FROM A HYDROPHILIC TO HYDROPHOBIC STATE OR HYDROPHOBIC TO HYDROPHILIC STATE KODAK POLYCHROME GRAPHICS LLC (US) 2000-11-14 US disclosed
WO-2000016987-A1 THERMOSENSITIVE, POLYMERIC IMAGE RECORDING MATERIAL AND METHOD FOR USE KODAK POLYCHROME GRAPHICS CO. LTD. (US) 2000-03-30 WO disclosed