SCHEMBL22210642

SCHEMBL22210642

CCC(=O)Nc1cc(NC(=O)O)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
GAA P10253 3/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 3/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL12971593 0.93 POLB (0.58) RAB9AGAANPC1POLBCYP3A4
SCHEMBL30050717 0.86 MAPT (0.55) RAB9ANPC1POLBALDH1A1MAPK1
SCHEMBL378893 0.86 MAPT (0.55) RAB9ANPC1POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11406931 0.84 MAPT (0.53) RAB9ANPC1POLBALDH1A1MAPK1
SCHEMBL4299638 0.83 POLB (0.49) RAB9AGAANPC1POLBALDH1A1
SCHEMBL21902832 0.81 NPC1 (0.52) RAB9AGAANPC1POLBALDH1A1
SCHEMBL882725 0.81 ALDH1A1 (0.60) RAB9AGAANPC1POLBALDH1A1
SCHEMBL12937737 0.81 KMT2A (0.57) RAB9ANPC1POLBCYP3A4ALDH1A1
SCHEMBL13752250 0.81 HDAC3 (0.64) RAB9ANPC1POLBALDH1A1MEN1
SCHEMBL7563975 0.81 NLRP3 (0.58) RAB9ANPC1POLBCYP3A4ALDH1A1

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-10714791-B2 Gel polymer electrolyte and lithium secondary battery including the same LG CHEM, LTD. (KR) 2020-07-14 US disclosed