SCHEMBL7634845

SCHEMBL7634845

Cc1ccc(C(CCC(=O)C(=O)OCc2ccccc2)OC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HPGD P15428 1/20 0.38
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
FFAR1 O14842 1/20 0.37
ALOX5 P09917 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL7634115 0.93 ALDH1A1 (0.43) LMNAALDH1A1CTSKCTSLSMN1; SMN2
SCHEMBL7640145 0.86 LMNA (0.39) LMNAMAPTALDH1A1PSEN1PSEN2
SCHEMBL7641602 0.85 SMN1; SMN2 (0.38) FFAR1ALOX5UTS2RSMN1; SMN2
SCHEMBL7635923 0.82 SMN1; SMN2 (0.42) LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7641755 0.81 ALDH1A1 (0.42) LMNAMAPTALDH1A1PSEN1PSEN2
SCHEMBL7640867 0.81 UTS2R (0.37) ALDH1A1CNR1CNR2FFAR1ALOX5
SCHEMBL7635756 0.81 ACHE (0.36) MAPTALDH1A1CNR1CNR2HPGD
SCHEMBL7636517 0.80 ALDH1A1 (0.45) LMNAMAPTALDH1A1CTSLSMN1; SMN2
SCHEMBL7644238 0.79 ALDH1A1 (0.39) ALDH1A1CTSLALOX5
SCHEMBL7331100 0.78 ALDH1A1 (0.51) LMNAMAPTALDH1A1CTSK

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-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