SCHEMBL7986653

SCHEMBL7986653

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK9 P45984 1/20 0.50
MME P08473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MCL1 Q07820 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.44

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 0.86 MAPK9 (0.52) PTGS1PTGS2KMT2AMEN1MAPK9
SCHEMBL7986479 0.83 TAS1R3 (0.50) PTGS1PTGS2KMT2AMEN1MAPK9
SCHEMBL2183809 0.83 MAPK9 (0.63) PTGS1PTGS2KMT2AMEN1MAPK9
SCHEMBL7988098 0.82 MAPK9 (0.49) PTGS1PTGS2KMT2AMEN1MAPK9
SCHEMBL7993145 0.82 LMNA (0.50) KMT2AMEN1MAPK9ALDH1A1KDM4E
SCHEMBL8035766 0.82 PTGS1 (0.59) PTGS1PTGS2KMT2AMEN1MAPK9
SCHEMBL7986595 0.81 PTGS1 (0.55) PTGS1PTGS2KMT2AMEN1MAPK9
SCHEMBL7976514 0.81 TAS1R3 (0.52) PTGS1PTGS2KMT2AMEN1MAPK9
Hydrochloric Acid SCHEMBL11410387 0.81 PTGS1 (0.58) PTGS1PTGS2KMT2AMEN1MAPK9
SCHEMBL7988021 0.80 TAS1R3 (0.48) PTGS1PTGS2KMT2AMEN1MAPK9

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