SCHEMBL6517486

SCHEMBL6517486

O=C(OCCCl)c1ccccc1C(=O)OCCCl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
TSHR P16473 8/20 0.62
TDP1 Q9NUW8 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP3A4 P08684 4/20 0.58
MAPK1 P28482 3/20 0.58
TP53 P04637 2/20 0.58
LMNA P02545 1/20 0.56
NPC1 O15118 3/20 0.52
HSD17B10 Q99714 5/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11644887 0.88 TDP1 (0.73) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29226917 0.88 TSHR (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL8419896 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7944766 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7509541 0.87 ALDH1A1 (0.66) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11653034 0.86 TSHR (0.68) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11655445 0.84 ALDH1A1 (0.69) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1897234 0.82 CYP3A4 (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL30885020 0.81 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3031388 0.81 PTGS2 (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed
EP-1198423-A4 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER SHEETS RICHARD G (US) 2005-04-06 EP disclosed
US-6869539-B2 Reclamation of materials in a closed environment with remedial water SHEETS RICHARD G (US) 2005-03-22 US disclosed
EP-1224043-B1 A METHOD TO REMEDIATE SOIL USING A SURFACTANT OF A SALT OF AN ACRYLAMIDOALKANESULFONIC ACID-AMINE REACTION PRODUCT LUBRIZOL CORP (US) 2004-09-22 EP disclosed
WO-2003068324-A1 ORGANIC CONTAMINANT REMOVAL FROM SLUDGE BY TARGETED CATALYSIS MOTSENBOCKER MARVIN (US) 2003-08-21 WO disclosed
US-20020113017-A1 Reclamation of materials in a closed environment with remedial water SHEETS RICHARD G (US) 2002-08-22 US disclosed
EP-1224043-A1 A METHOD TO REMEDIATE SOIL USING A SURFACTANT OF A SALT OF AN ACRYLAMIDOALKANESULFONIC ACID-AMINE REACTION PRODUCT The Lubrizol Corporation (US) 2002-07-24 EP disclosed
EP-1224042-A1 A METHOD TO REMEDIATE SOIL USING A SURFACTANT OF AN ALKENYLSUCCINIC ANHYDRIDE OR ACID REACTED WITH AN AMINE ACID OR SALT OF AN AMINE ACID The Lubrizol Corporation (US) 2002-07-24 EP disclosed
EP-1198423-A1 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER Sheets, Richard G. (US) 2002-04-24 EP disclosed
US-6326187-B1 SURFACTANT WITH SULFONATE, SULFATE OR CARBOXY ACID SALTS FOR SOILS THE LUBRIZOL CORPORATION 2001-12-04 US disclosed
US-6264399-B1 HYDROPHOBIC ORGANIC CHEMICAL BECOMES ASSOCIATED WITH THE AQUEOUS COMPOSITION AND CAN BE REMOVED FROM THE SOIL OR DECONTAMINATED BY A BIOLOGICAL PROCESS THE LUBRIZOL CORPORATION 2001-07-24 US disclosed
WO-2001026831-A1 A METHOD TO REMEDIATE SOIL USING A SURFACTANT OF A SALT OF AN ACRYLAMIDOALKANESULFONIC ACID-AMINE REACTION PRODUCT THE LUBRIZOL CORPORATION (US) 2001-04-19 WO disclosed
WO-2001026832-A1 A METHOD TO REMEDIATE SOIL USING A SURFACTANT OF AN ALKENYLSUCCINIC ANHYDRIDE OR ACID REACTED WITH AN AMINE ACID OR SALT OF AN AMINE ACID THE LUBRIZOL CORPORATION (US) 2001-04-19 WO disclosed
WO-2000071476-A1 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER SHEETS RICHARD G (US) 2000-11-30 WO disclosed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US disclosed