SCHEMBL9866523

SCHEMBL9866523

Cc1ccc(C(=O)NCCC(=O)O)cc1NC(=O)CCC(C)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ HDAC3 O15379 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CASR P41180 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ SELL P14151 1/20 0.43
▸ SELP P16109 1/20 0.43
▸ SELE P16581 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ GCG P01275 1/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ LDLR P01130 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL9335832 0.83 HDAC3 (0.57) HTTHDAC3SMN1; SMN2ALDH1A1SELL
SCHEMBL9866534 0.80 GAA (0.46) HTTHDAC3SMN1; SMN2ALDH1A1GCG
SCHEMBL9335895 0.76 CASR (0.43) HTTHDAC3POLBCASRITGB3
SCHEMBL2523349 0.73 CASR (0.65) POLBLMNACASRALDH1A1SELL
Formic Acid SCHEMBL9339307 0.73 CASR (0.43) HTTHDAC3POLBCASRCA1
SCHEMBL14426473 0.72 SELL (0.65) POLBSMN1; SMN2LMNACASRALDH1A1
SCHEMBL12200789 0.71 CA1 (0.52) HDAC3POLBSMN1; SMN2LMNACA1
SCHEMBL14426833 0.70 SELL (0.62) HDAC3POLBSMN1; SMN2LMNACASR
SCHEMBL14054114 0.69 CA1 (0.54) POLBSMN1; SMN2LMNAALDH1A1CA1
SCHEMBL9339460 0.69 NPC1 (0.59) HTTHDAC3SMN1; SMN2ALDH1A1CA1

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 — — US disclosed
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