SCHEMBL7443382

SCHEMBL7443382

O=C(Cc1csc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
KDM1A O60341 4/20 0.49
MAOA P21397 2/20 0.49
RCOR1 Q9UKL0 2/20 0.49
KDM1B Q8NB78 1/20 0.49

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
SCHEMBL7303833 0.94 LMNA (0.58) HDAC6LMNATP53
SCHEMBL7436262 0.85 MME (0.47) MMELMNATP53
SCHEMBL7308841 0.83 LMNA (0.56) CTSLCTSBCTSSCTSKLMNA
SCHEMBL27751166 0.80 LMNA (0.69) LMNATP53
SCHEMBL7307895 0.80 LMNA (0.55) LMNATP53
SCHEMBL10349418 0.79 TP53 (0.56) LMNATP53
SCHEMBL11184923 0.79 TACR1 (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7307957 0.79 MME (0.56) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL7600349 0.78 CTSL (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4832627 0.78 ALDH1A1 (0.59) MMELMNATP53

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
US-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed