SCHEMBL31302989

SCHEMBL31302989

Cc1cccc(OCCC(=O)O)c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL2777259 1.00 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
Hydrochloric Acid SCHEMBL2777750 0.98 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL826321 0.92 SMN1; SMN2 (0.65) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL8278944 0.90 KMT2A (0.60) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL10102862 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL13450150 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL20230314 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL8357771 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL27414037 0.87 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL5834552 0.86 SMN1; SMN2 (0.58) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD

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
WO-2024258789-A1 MODULATORS OF CDK2 AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2024-12-19 — — WO disclosed
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