SCHEMBL7986595

SCHEMBL7986595

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
HPGD P15428 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
MAPK9 P45984 1/20 0.50
MME P08473 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
OGA O60502 1/20 0.47

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
SCHEMBL8035766 0.89 PTGS1 (0.59) PTGS1PTGS2HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL11410387 0.88 PTGS1 (0.58) PTGS1PTGS2HPGDKMT2AMEN1
SCHEMBL7990464 0.86 MAPK9 (0.54) PTGS1PTGS2HPGDKMT2AMEN1
SCHEMBL7989783 0.85 MAPK9 (0.51) PTGS1PTGS2HPGDKMT2AMEN1
SCHEMBL7987319 0.82 MAPK1 (0.50) PTGS1PTGS2HPGDKMT2AMAPK9
SCHEMBL7986653 0.81 PTGS1 (0.51) PTGS1PTGS2HPGDKMT2AMEN1
SCHEMBL9220209 0.81 PTGS1 (0.81) PTGS1PTGS2HPGDKMT2AMEN1
SCHEMBL805663 0.81 PTGS1 (0.81) PTGS1PTGS2HPGDKMT2AMEN1
SCHEMBL7976072 0.81 MAPK9 (0.52) PTGS1PTGS2HPGDKMT2AMEN1
SCHEMBL24893823 0.79 PTGS1 (0.52) PTGS1PTGS2HPGDKMT2AMEN1

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