SCHEMBL7975874

SCHEMBL7975874

O=C(O)CNc1ccccc1C(=O)[C@H](c1ccc2c(c1)OCO2)[C@H](O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
EDNRA P25101 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL7993894 0.90 RXFP1 (0.42) RXFP1KDM4ENPC1RAB9AHPGD
SCHEMBL7987577 0.77 NPC1 (0.48) KDM4ETDP1NPC1RAB9AHPGD
SCHEMBL7975878 0.74 TRPM8 (0.44) KDM4ETDP1NPC1RAB9AHPGD
SCHEMBL7993759 0.72 MME (0.52) KDM4ETDP1HPGD
SCHEMBL7975974 0.71 MAPK9 (0.49) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL7993896 0.70 TRPM8 (0.43) HPGDTP53SMN1; SMN2MAPTKMT2A
SCHEMBL7993650 0.70 EDNRA (0.49) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL7976824 0.69 HPGD (0.46) KDM4ETDP1NPC1RAB9AHPGD
SCHEMBL7986911 0.67 EDNRA (0.47) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL11795717 0.67 KDM4E (0.45) KDM4ETDP1NPC1HPGDSMN1; SMN2

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed