SCHEMBL7976824

SCHEMBL7976824

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
MME P08473 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
HTT P42858 3/20 0.43
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7986911 0.87 EDNRA (0.47) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL7993759 0.85 MME (0.52) HPGDALDH1A1MMEHTTKDM4E
SCHEMBL7987577 0.81 NPC1 (0.48) HPGDALDH1A1MAPTHTTKDM4E
SCHEMBL7986607 0.79 MAPK1 (0.53) SMN1; SMN2
SCHEMBL7987574 0.79 MAPK1 (0.53) SMN1; SMN2
SCHEMBL7990351 0.79 MAPK1 (0.53) SMN1; SMN2
SCHEMBL7993650 0.79 EDNRA (0.49) HPGDALDH1A1MAPTMMEHTT
SCHEMBL7975974 0.74 MAPK9 (0.49) HPGDALDH1A1MMENPC1RAB9A
SCHEMBL7988173 0.74 SMN1; SMN2 (0.53) MAPTMCHR1TP53SMN1; SMN2MEN1
SCHEMBL7993619 0.73 MAPK1 (0.55) SMN1; 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 2 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
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed