SCHEMBL7993449

SCHEMBL7993449

Cn1cncc1CC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EDNRA P25101 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MME P08473 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PTGFR P43088 2/20 0.39
FFAR1 O14842 1/20 0.39
OGA O60502 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
SCHEMBL7975962 0.88 EDNRA (0.56) MAPK9KMT2AEDNRAOGATP53
SCHEMBL31062585 0.75 AKR1C3 (0.66) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL14537417 0.75 AKR1C3 (0.66) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL7835310 0.75 AKR1C3 (0.66) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL7975875 0.74 MAPK9 (0.61) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL6367096 0.73 MAPK9 (0.68) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL6367100 0.73 MAPK9 (0.68) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL8808534 0.73 MAPK9 (0.51) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL2183809 0.72 MAPK9 (0.63) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL6985620 0.72 MAPK9 (0.66) MAPK9CYP1A2CYP2C9CYP2C19AKR1C3

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed