SCHEMBL9618934

SCHEMBL9618934

CCCCCCCCOC(=O)CCO/N=C/c1c[c]ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.37
HTR2C P28335 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MGLL Q99685 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL9618983 0.96 ALDH1A1 (0.37) EPHX2ALDH1A1MGLLTDP1L3MBTL1
SCHEMBL9618806 0.91 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9618903 0.90 ALDH1A1 (0.39) EPHX2PRSS1PRSS2PRSS3NAAA
SCHEMBL9618928 0.86 L3MBTL1 (0.43) EPHX2ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL10553698 0.84 ALDH1A1 (0.37) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL9618769 0.83 MAPT (0.35) LMNAALDH1A1L3MBTL1
SCHEMBL10549353 0.82 APP (0.36) LMNAALDH1A1TSHRAPP
SCHEMBL9618924 0.81 GSTP1 (0.34) LMNAALDH1A1TSHR
SCHEMBL9618852 0.81 ALDH1A1 (0.34) LMNAALDH1A1TDP1L3MBTL1
SCHEMBL9618856 0.81 ALDH1A1 (0.34) LMNAALDH1A1TDP1L3MBTL1

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