SCHEMBL7989783

SCHEMBL7989783

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
MME P08473 1/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 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 0.87 MAPK9 (0.52) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL7986595 0.85 PTGS1 (0.55) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL7986479 0.82 TAS1R3 (0.50) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL14537417 0.81 AKR1C3 (0.66) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL31062585 0.81 AKR1C3 (0.66) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL7835310 0.81 AKR1C3 (0.66) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL7990464 0.80 MAPK9 (0.54) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL8035766 0.80 PTGS1 (0.59) MAPK9KMT2AMEN1PTGS1PTGS2
SCHEMBL7976514 0.80 TAS1R3 (0.52) MAPK9KMT2AMEN1PTGS1PTGS2
Hydrochloric Acid SCHEMBL11410387 0.79 PTGS1 (0.58) MAPK9KMT2AMEN1PTGS1PTGS2

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