SCHEMBL9735392

SCHEMBL9735392

CC(=O)OCc1cc(N)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
HTR2C P28335 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP19A1 P11511 1/20 0.40
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL16291117 0.85 CYP3A4 (0.41) ALDH1A1HPGDCHRM2CHRM3MAOA
SCHEMBL13586897 0.83 ALDH1A1 (0.43) ALDH1A1USP2HPGDMAOACYP3A4
SCHEMBL13034130 0.83 GAA (0.49) NOTUMALDH1A1USP2HPGDCYP3A4
SCHEMBL27807653 0.81 KDM4E (0.43) ALDH1A1MAOACYP3A4CYP19A1TSHR
SCHEMBL9767917 0.80 GAA (0.39) ALDH1A1HPGDCHRM2CHRM3MAOA
SCHEMBL4917453 0.80 NOTUM (0.42) NOTUMALDH1A1USP2HPGDMAOA
SCHEMBL10034916 0.80 ALDH1A1 (0.41) ALDH1A1MAOACYP3A4CYP19A1KDM4E
SCHEMBL13586896 0.79 ALDH1A1 (0.43) ALDH1A1USP2MAOACYP3A4CYP19A1
SCHEMBL8326571 0.79 LMNA (0.50) ALDH1A1HPGDMAOACYP3A4TSHR
SCHEMBL27835389 0.79 TDP1 (0.44) NOTUMALDH1A1HPGDMAOAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169428-A Tetrahydrophthalimide derivative and herbicide composition containing same TOSOH CORPORATION (JP) 1992-12-08 US disclosed
EP-0323271-A1 Tetrahydrophthalimide derivative and herbicide composition containing the same Tosoh Corporation (JP) 1989-07-05 EP disclosed