SCHEMBL28166297

SCHEMBL28166297

Cc1cc(C)cc(C(=O)CC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.56
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
HCAR1 Q9BXC0 1/20 0.43
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRSS1 P07477 1/20 0.38

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
SCHEMBL11974562 0.88 TPMT (0.56) TPMTKMT2AMEN1RAB9ANPC1
SCHEMBL875654 0.81 KMT2A (0.71) TPMTKMT2AMEN1RAB9ANPC1
SCHEMBL5084680 0.80 KMT2A (0.64) TPMTKMT2AMEN1RAB9AHCAR1
SCHEMBL1421021 0.79 SMN1; SMN2 (0.58) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL15427596 0.79 KMT2A (0.59) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL13886370 0.78 MEN1 (0.49) TPMTKMT2AMEN1RAB9ANPC1
SCHEMBL30089552 0.78 TPMT (0.56) TPMTKMT2AMEN1HCAR1RXRA
SCHEMBL4842224 0.77 NPC1 (0.73) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL5084687 0.77 HDAC3 (0.55) TPMTKMT2AGAAMAPTMAPK1
SCHEMBL28080105 0.77 PDE4B (0.51) TPMTKMT2AMEN1RAB9ANPC1

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
CN-107105657-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2017-08-29 CN disclosed