SCHEMBL9618924

SCHEMBL9618924

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL9618844 0.86 L3MBTL1 (0.35) ALDH1A1TSHRLMNA
SCHEMBL9618806 0.85 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL9618758 0.84 PKM (0.35) TSHR
SCHEMBL9618769 0.83 MAPT (0.35) ALDH1A1HPGDPOLBMAPTLMNA
SCHEMBL9618983 0.83 ALDH1A1 (0.37) ALDH1A1HPGDMAPTNPC1
SCHEMBL10548152 0.83 TSHR (0.35) ALDH1A1TSHR
SCHEMBL9618934 0.81 EPHX2 (0.37) ALDH1A1TSHRLMNA
SCHEMBL10549935 0.81 HPGD (0.34) TSHRHPGDLMNA
SCHEMBL10549938 0.81 HPGD (0.34) TSHRHPGDLMNA
SCHEMBL10551282 0.81 MAPT (0.31) TSHRMAPT

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