SCHEMBL7988021

SCHEMBL7988021

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.48
TAS1R1 Q7RTX1 5/20 0.48
MAPK9 P45984 1/20 0.47
KMT2A Q03164 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.44
MME P08473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7976514 0.96 TAS1R3 (0.52) TAS1R3TAS1R1MAPK9KMT2APTGS1
SCHEMBL7986479 0.91 TAS1R3 (0.50) TAS1R3TAS1R1MAPK9KMT2APTGS1
SCHEMBL7975966 0.88 PTGS1 (0.56) TAS1R3TAS1R1PTGS1PTGS2TSHR
SCHEMBL7976072 0.85 MAPK9 (0.52) TAS1R3TAS1R1MAPK9KMT2APTGS1
SCHEMBL9440379 0.84 MAPK9 (0.59) TAS1R3TAS1R1MAPK9KMT2APTGS1
SCHEMBL8393098 0.83 TAS1R3 (0.45) TAS1R3TAS1R1KMT2APTGS1TSHR
SCHEMBL7986653 0.80 PTGS1 (0.51) TAS1R3TAS1R1MAPK9KMT2APTGS1
SCHEMBL7988098 0.79 MAPK9 (0.49) MAPK9KMT2APTGS1PTGS2HPGD
SCHEMBL7989783 0.79 MAPK9 (0.51) MAPK9KMT2APTGS1PTGS2HPGD
SCHEMBL530292 0.78 TAS1R3 (0.53) TAS1R3TAS1R1KMT2ATSHRHPGD

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