SCHEMBL7988098

SCHEMBL7988098

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.49
KMT2A Q03164 3/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MME P08473 1/20 0.46
MEN1 O00255 2/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TP53 P04637 1/20 0.43
EDNRA P25101 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.40

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
SCHEMBL7976072 0.85 MAPK9 (0.52) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL7986653 0.82 PTGS1 (0.51) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL7986479 0.82 TAS1R3 (0.50) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL7976514 0.80 TAS1R3 (0.52) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL7988021 0.79 TAS1R3 (0.48) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL7993145 0.78 LMNA (0.50) MAPK9KMT2AMEN1CYP1A2CYP2C19
SCHEMBL7990464 0.78 MAPK9 (0.54) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL8035766 0.78 PTGS1 (0.59) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL7989783 0.78 MAPK9 (0.51) MAPK9KMT2APTGS1PTGS2MME
SCHEMBL7986595 0.77 PTGS1 (0.55) MAPK9KMT2APTGS1PTGS2MME

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