SCHEMBL7652598

SCHEMBL7652598

CNC(=O)c1cc(-c2ccc3c(c2)OCO3)c2cc3c(cc2c1)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.48
USP30 Q70CQ3 1/20 0.48
ALOX5 P09917 7/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ADORA3 P0DMS8 7/20 0.44
ADORA1 P30542 6/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7650593 0.84 ALDH1A1 (0.54) ALOX5MEN1KMT2AGAAMAPK1
SCHEMBL7663095 0.83 CHEK2 (0.53) ALOX5CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7657293 0.82 UCHL1 (0.46) UCHL1USP30MEN1KMT2ALMNA
SCHEMBL5192592 0.75 KMT2A (0.70) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL7662370 0.74 ALOX5 (0.65) ALOX5MEN1KMT2AGAAADORA3
SCHEMBL19391079 0.70 CD274 (0.56) ALOX5MEN1KMT2ATSHR
SCHEMBL7662426 0.69 ADORA3 (0.43) MEN1KMT2AGAAADORA3ADORA1
SCHEMBL7659381 0.67 KDM4E (0.49) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL13971739 0.67 MAPT (0.62) MEN1KMT2ALMNAADORA3ADORA1
SCHEMBL30300419 0.66 RAB9A (0.50) MEN1KMT2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed