SCHEMBL7367657

SCHEMBL7367657

CCCCCCOc1cc(N)c(Cl)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.52
S1PR3 Q99500 1/20 0.52
PTPN1 P18031 2/20 0.51
PTPN6 P29350 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PLA2G2A P14555 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL22987088 0.90 GAA (0.48) S1PR3PTPN1MEN1LMNACYP3A4
SCHEMBL27264213 0.84 CYP3A4 (0.49) THRATHRBMEN1NR1I2LMNA
SCHEMBL99475 0.84 TSHR (0.53) LMNACYP3A4ADRA2AHTR2BTSHR
SCHEMBL668981 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL8679152 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL10539639 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL3906642 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL35210991 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL4462194 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL7267139 0.83 GAA (0.50) LMNACYP3A4ADRA2AHTR2BTSHR

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-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed