SCHEMBL7278129

SCHEMBL7278129

COc1ccc(CN2C(=O)C(C)Oc3c(C(=O)O)cc(Cl)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.41
CHRM1 P11229 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GSK3B P49841 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
PTPN7 P35236 1/20 0.40
PTPN12 Q05209 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
ADK P55263 1/20 0.40
CCR2 P41597 1/20 0.40
GSK3A P49840 1/20 0.40
CHRM5 P08912 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
Hydrochloric Acid SCHEMBL7291584 0.99 CMA1 (0.40) CMA1CHRM1MEN1KMT2AGSK3B
SCHEMBL7291570 0.92 CMA1 (0.41) CMA1GSK3BALDH1A1ADKGSK3A
SCHEMBL7287822 0.88 TSHR (0.44) MEN1KMT2AGSK3BALDH1A1NPSR1
SCHEMBL7288360 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1POLBCA9
SCHEMBL7287042 0.87 MEN1 (0.44) MEN1KMT2AGSK3BALDH1A1POLB
Hydrochloric Acid SCHEMBL7287352 0.87 TSHR (0.43) MEN1KMT2AGSK3BALDH1A1NPSR1
Hydrochloric Acid SCHEMBL7288500 0.86 MEN1 (0.43) MEN1KMT2AGSK3BALDH1A1POLB
SCHEMBL7288382 0.81 TSHR (0.39) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL7287310 0.80 TSHR (0.46) POLBNPSR1CA12CA1CA2
SCHEMBL7287339 0.80 TSHR (0.44) MEN1KMT2AGSK3BALDH1A1POLB

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-0313393-B1 Benzoxazine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 1994-03-16 EP disclosed
US-4892872-A ANTIEMETICS, ANTINAUSEA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
EP-0313393-A2 Benzoxazine compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-26 EP disclosed