SCHEMBL8520229

SCHEMBL8520229

CC(C[CH]c1ccccc1)Nc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.47
DHODH Q02127 1/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
TRPA1 O75762 3/20 0.43
CLCN2 P51788 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
AGTR1 P30556 1/20 0.41
FABP4 P15090 1/20 0.41
ABCC1 P33527 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CTSK P43235 1/20 0.40
AKR1B10 O60218 1/20 0.40
ABCB11 O95342 1/20 0.40
DHFR P00374 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
SCHEMBL1901606 0.81 CLCN2 (0.53) KMT2AMEN1TRPA1CLCN2ALDH1A1
SCHEMBL28874209 0.80 KMT2A (0.49) KMT2AMEN1TRPA1CLCN2ALDH1A1
SCHEMBL8418824 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL1899962 0.76 KMT2A (0.54) KMT2AMEN1TRPA1CLCN2ALDH1A1
SCHEMBL15177919 0.75 TRPM8 (0.51) TRPM8DHODHKMT2AMEN1TRPA1
SCHEMBL8520231 0.75 POLB (0.55) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL19750094 0.74 KMT2A (0.53) TRPM8DHODHKMT2AMEN1TRPA1
SCHEMBL25465849 0.73 KMT2A (0.51) KMT2AMEN1TRPA1CLCN2ALDH1A1
SCHEMBL25465846 0.73 KMT2A (0.51) KMT2AMEN1TRPA1CLCN2ALDH1A1
SCHEMBL5512525 0.73 KMT2A (0.51) KMT2AMEN1TRPA1CLCN2ALDH1A1

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
EP-0938492-A1 COMBINATORIAL SYNTHESIS OF CARBOHYDRATE LIBRARIES SYNSORB Biotech Inc. (CA) 1999-09-01 EP disclosed
WO-1998022487-A1 COMBINATORIAL SYNTHESIS OF CARBOHYDRATE LIBRARIES SYNSORB BIOTECH, INC. (CA) 1998-05-28 WO disclosed