SCHEMBL9618903

SCHEMBL9618903

CCCCCCOC(=O)CON=Cc1c[c]ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAAA Q02083 1/20 0.37
EPHX2 P34913 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
FAAH O00519 7/20 0.34
APP P05067 3/20 0.34

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
SCHEMBL9618931 0.96 L3MBTL1 (0.43) ALDH1A1TDP1L3MBTL1EPHX2TSHR
SCHEMBL9618928 0.96 L3MBTL1 (0.43) ALDH1A1TDP1L3MBTL1EPHX2TSHR
SCHEMBL9618852 0.91 ALDH1A1 (0.34) ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL9618856 0.91 ALDH1A1 (0.34) ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL9618934 0.90 EPHX2 (0.37) ALDH1A1TDP1L3MBTL1NAAAEPHX2
SCHEMBL9619097 0.86 L3MBTL1 (0.41) ALDH1A1L3MBTL1LMNA
SCHEMBL9618983 0.86 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1EPHX2
SCHEMBL10549353 0.83 APP (0.36) ALDH1A1TSHRLMNAAPP
SCHEMBL10553722 0.81 APP (0.35) ALDH1A1TSHRLMNAAPP
SCHEMBL9618809 0.81 ALDH1A1 (0.38) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236916-B1 N-ARYLTETRAHYDROPHTHALIMIDE DERIVATIVES AND THEIR PRECURSORS BASF Aktiengesellschaft (DE) 1992-01-08 EP disclosed
US-4844733-A PRE- AND POSTEMERGENCE BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0236916-A2 N-aryltetrahydrophthalimide derivatives and their precursors BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed