SCHEMBL7055439

SCHEMBL7055439

CC(=O)C(C(=O)OCc1ccccc1)C(C)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
UGT2B7 P16662 1/20 0.42
TACR1 P25103 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSB P07858 2/20 0.41
GLA P06280 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
ELANE P08246 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
SCHEMBL7061755 0.85 SMN1; SMN2 (0.48) ALDH1A1UGT2B7MEN1KMT2AGLA
SCHEMBL7056978 0.83 CA1 (0.53) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL7062436 0.82 ACHE (0.55) ALDH1A1MEN1KMT2AMAPT
SCHEMBL27366043 0.82 AKR1C3 (0.49) ALDH1A1UGT2B7TSHR
SCHEMBL7059120 0.82 UGT2B7 (0.47) UGT2B7MEN1KMT2AGLACYP2D6
SCHEMBL7060183 0.82 ALDH1A1 (0.47) ALDH1A1LMNACTSBELANEPPARG
SCHEMBL7059054 0.82 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2ACTSB
SCHEMBL7060040 0.81 L3MBTL1 (0.49) UGT2B7MEN1LMNAKMT2AGLA
SCHEMBL7060845 0.81 ELANE (0.44) ALDH1A1MEN1LMNAKMT2ACTSB
SCHEMBL7060398 0.78 ACP3 (0.46) ALDH1A1MEN1KMT2ACYP3A4CYP2D6

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