SCHEMBL11064441

SCHEMBL11064441

CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 11/20 0.62
CTSB P07858 3/20 0.59
CAPN9 O14815 2/20 0.59
MAPK1 P28482 2/20 0.59
CAPN2 P17655 1/20 0.59
CTSK P43235 6/20 0.58
CTSS P25774 3/20 0.58
CTSL P07711 2/20 0.58
CTSH P09668 1/20 0.58
CTSC P53634 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL11191343 0.99 CAPN1 (0.61) CAPN1CTSBCAPN9MAPK1CAPN2
SCHEMBL11065437 0.93 CAPN1 (0.68) CAPN1CTSBCAPN2CTSKCTSS
SCHEMBL11063698 0.93 CAPN1 (0.67) CAPN1CTSBCAPN2CTSKCTSS
SCHEMBL11069035 0.93 CAPN1 (0.67) CAPN1CTSBCAPN2CTSKCTSS
Potassium Ion SCHEMBL11071633 0.92 CAPN1 (0.59) CAPN1CTSBCAPN2CTSKCTSS
SCHEMBL11189319 0.91 CAPN1 (0.67) CAPN1CTSBCAPN2CTSKCTSS
Potassium Ion SCHEMBL11197469 0.91 CAPN1 (0.58) CAPN1CTSBCAPN2CTSKCTSS
SCHEMBL11193412 0.90 CAPN1 (0.66) CAPN1CTSBCAPN2CTSKCTSS
SCHEMBL11063602 0.89 CAPN1 (0.67) CAPN1CTSBCAPN2CTSKCTSS
SCHEMBL11061306 0.87 CAPN1 (0.59) CAPN1CTSBCAPN2CTSKCTSS

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-4474800-A PROTEASE INHIBITORS, MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-10-02 US disclosed