SCHEMBL9618844

SCHEMBL9618844

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CYP4Z1 Q86W10 3/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.31
CYP4F12 Q9HCS2 1/20 0.31
KAT2B Q92831 1/20 0.31
CYP3A4 P08684 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
SCHEMBL10553698 0.93 ALDH1A1 (0.37) L3MBTL1SMN1; SMN2ALDH1A1LMNACYP4F2
SCHEMBL9618806 0.92 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9618983 0.90 ALDH1A1 (0.37) L3MBTL1SMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL9618769 0.88 MAPT (0.35) L3MBTL1SMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL9619097 0.88 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL9619093 0.88 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL9618934 0.88 EPHX2 (0.37) L3MBTL1ALDH1A1LMNATSHRTDP1
SCHEMBL10548152 0.87 TSHR (0.35) L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL9618924 0.86 GSTP1 (0.34) ALDH1A1LMNATSHR
SCHEMBL9618758 0.86 PKM (0.35) SMN1; SMN2CYP3A4TSHRMEN1KMT2A

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