SCHEMBL30952648

SCHEMBL30952648

O=C(O)CC(C(=O)O)n1ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
SLC6A4 P31645 9/20 0.46
SLC6A2 P23975 8/20 0.43
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NTSR1 P30989 1/20 0.42
NOTUM Q6P988 1/20 0.41
LMNA P02545 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
SCHEMBL2283629 0.85 KMT2A (0.47) KMT2ASLC6A4SLC6A2TSHRRAB9A
SCHEMBL29743218 0.84 SLC6A4 (0.47) KMT2ASLC6A4SLC6A2TSHRRAB9A
SCHEMBL1967791 0.84 SLC6A4 (0.47) KMT2ASLC6A4SLC6A2TSHRRAB9A
SCHEMBL30952646 0.81 KMT2A (0.47) KMT2ASLC6A4SLC6A2TSHRRAB9A
SCHEMBL30872024 0.79 KMT2A (0.42) KMT2ASLC6A4SLC6A2TSHRRAB9A
SCHEMBL30850132 0.78 SLC6A2 (0.45) KMT2ASLC6A4SLC6A2NTSR1
SCHEMBL11412911 0.78 KMT2A (0.49) KMT2ASLC6A4SLC6A2TSHRRAB9A
SCHEMBL12499665 0.77 MAPK1 (0.43) KMT2ASLC6A4SLC6A2
SCHEMBL526316 0.75 NOTUM (0.49) KMT2ASLC6A4SLC6A2TSHRRAB9A
SCHEMBL5851331 0.74 KMT2A (0.50) KMT2ASLC6A4SLC6A2TSHRRAB9A

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
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed