SCHEMBL7058748

SCHEMBL7058748

Cc1ccc(CCC(=O)C(=O)OCc2ccccc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.43
FFAR1 O14842 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7060854 0.86 PTGER4 (0.49) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL7061244 0.85 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL7061246 0.85 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL7059853 0.83 SMN1; SMN2 (0.46) LMNAGAANPC1RAB9AMEN1
SCHEMBL20023025 0.82 PLAAT3 (0.57) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL7060857 0.79 RAB9A (0.41) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL7636904 0.78 KMT2A (0.49) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL7060700 0.78 TDP1 (0.56) LMNAALDH1A1FFAR1KMT2AFFAR4
SCHEMBL7640815 0.78 NPC1 (0.50) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL7641217 0.76 TSHR (0.59) PTGER1PTGER4PTGER3PTGER2ALDH1A1

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
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed