SCHEMBL1123422

SCHEMBL1123422

C[C@@H](CC1CCCCC1)NC(=O)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ LDLR P01130 3/20 0.46
▸ DEGS1 O15121 1/20 0.45
▸ GRN P28799 1/20 0.44
▸ SORT1 Q99523 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MTOR P42345 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
SCHEMBL24283555 0.79 GRN (0.70) CTSLCTSKCTSBCTSSGRN
SCHEMBL24997896 0.77 RECQL (0.51) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL5720786 0.77 BDKRB2 (0.52) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL5521614 0.76 CTSL (0.83) CTSLCTSKCTSBCTSS
SCHEMBL7539158 0.76 CTSL (0.55) CTSLCTSKCTSBCTSSGRN
SCHEMBL15204487 0.75 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL14452805 0.75 HTR4 (0.48) CTSLCTSKCTSSALDH1A1MEN1
SCHEMBL8389571 0.74 HDAC6 (0.68) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL163588 0.74 MLYCD (0.61) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL13754271 0.74 RAB9A (0.64) CTSLCTSKCTSBCTSSALDH1A1

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 — — EP disclosed
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