SCHEMBL10959342

SCHEMBL10959342

CN(CCC(=O)O)c1ccccc1C(=O)c1ccccc1.[Na].[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
NR4A2 P43354 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL10959333 0.97 ALDH1A1 (0.46) ALDH1A1GAAMAPTTSHRTP53
SCHEMBL28325048 0.81 MAPT (0.49) ALDH1A1GAAMAPTTSHRTP53
SCHEMBL8585148 0.81 ALDH1A1 (0.52) ALDH1A1GAAMAPTTSHRTP53
SCHEMBL28857084 0.81 ALDH1A1 (0.45) ALDH1A1GAAMAPTTSHRTP53
SCHEMBL13948753 0.77 KMT2A (0.46) ALDH1A1TSHRTP53KMT2A
SCHEMBL501813 0.77 MAPT (0.77) ALDH1A1GAAMAPTTSHRTP53
SCHEMBL29384309 0.77 MAPT (0.77) ALDH1A1GAAMAPTTSHRTP53
SCHEMBL28255598 0.75 ALDH1A1 (0.57) ALDH1A1GAAMAPTTSHRTP53
Benzophenone SCHEMBL27403393 0.75 MAPT (0.74) ALDH1A1GAAMAPTTSHRTP53
SCHEMBL3370588 0.74 HTT (0.44) KMT2AHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4507382-A Water developable positive acting lithographic printing plate MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-03-26 US disclosed