SCHEMBL7328933

SCHEMBL7328933

CCCCCC(=O)N[C@@](C)([C]=O)C(CO)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.37
SIRT2 Q8IXJ6 9/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CAPN1 P07384 1/20 0.35
CAPN2 P17655 1/20 0.35
SIRT1 Q96EB6 6/20 0.34
SIRT3 Q9NTG7 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TLR2 O60603 3/20 0.33

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
SCHEMBL7323289 0.86 CTSL (0.41) SIRT2CTSLCTSSCAPN1CAPN2
SCHEMBL7329554 0.85 SIRT2 (0.35) SOAT1SIRT2CAPN1CAPN2SIRT1
SCHEMBL7323628 0.81 SIRT2 (0.33) SIRT2SIRT1SIRT3TLR2
SCHEMBL7323250 0.79 SOAT1 (0.37) SOAT1SIRT2CTSLCTSSCAPN1
SCHEMBL7321181 0.79 SIRT2 (0.39) SIRT2CTSLCTSSCAPN1CAPN2
SCHEMBL7331504 0.78 SIRT2 (0.38) SIRT2CTSLCTSSCAPN1CAPN2
SCHEMBL9296873 0.78 SIRT2 (0.40) SIRT2CTSLCTSSCAPN1CAPN2
SCHEMBL7326622 0.78 CTSB (0.41) SIRT2CTSLCTSSCAPN1CAPN2
SCHEMBL7329206 0.77 CTSB (0.42) SOAT1SIRT2CAPN1CAPN2SIRT1
SCHEMBL7324481 0.76 CAPN1 (0.36) SOAT1SIRT2CTSLCTSSCAPN1

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-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed