SCHEMBL16601896

SCHEMBL16601896

CCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.67
CTSS P25774 2/20 0.67
CTSB P07858 1/20 0.67
CTSK P43235 1/20 0.67
SIRT2 Q8IXJ6 17/20 0.65
SIRT1 Q96EB6 12/20 0.65
SIRT3 Q9NTG7 11/20 0.65
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.64

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
SCHEMBL22599593 0.95 CTSL (0.70) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL30185946 0.92 CTSL (0.64) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL16407478 0.92 MEN1 (0.56) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL14903029 0.92 MEN1 (0.56) CTSLCTSSCTSBCTSKSIRT2
SCHEMBL11737428 0.91 CTSL (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL671485 0.91 SIRT2 (0.65) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL3626824 0.91 SIRT2 (0.65) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL10802560 0.90 CTSL (0.73) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL9113871 0.90 CTSL (0.73) CTSLCTSSCTSBCTSK
SCHEMBL9306413 0.89 CTSL (0.64) CTSLCTSSSIRT2SIRT1SIRT3

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-8993780-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US disclosed