SCHEMBL7954098

SCHEMBL7954098

CCOC(=O)c1cc2c(C)cccc2n1C(C)OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 4/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB11 O95342 1/20 0.39
GABRA2 P47869 1/20 0.39
NOD2 Q9HC29 3/20 0.38
NOD1 Q9Y239 3/20 0.38
ATM Q13315 2/20 0.38
PLA2G10 O15496 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
SCHEMBL7954136 0.91 F10 (0.46) F10MEN1KMT2ATSHRCYP1A2
SCHEMBL7956167 0.77 F10 (0.46) F10MEN1KMT2ATSHRNOD2
SCHEMBL7954096 0.75 F10 (0.53) F10MEN1KMT2ATSHRPOLB
SCHEMBL17323120 0.74 F10 (0.57) F10MEN1KMT2ATSHRNOD2
SCHEMBL7955701 0.74 F10 (0.57) F10MEN1KMT2ATSHRPOLB
SCHEMBL7961092 0.72 F10 (0.55) F10MEN1KMT2ATSHRCYP1A2
SCHEMBL2010893 0.71 KDM4E (0.53) F10MEN1KMT2ATSHRCYP1A2
SCHEMBL7956172 0.71 F10 (0.52) F10MEN1KMT2ATSHRPOLB
SCHEMBL5622751 0.71 F10 (0.51) F10MEN1KMT2ATSHRNOD2
SCHEMBL8419074 0.70 NOD2 (0.49) F10MEN1KMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed