SCHEMBL3127052

SCHEMBL3127052

CCCC(F)OC(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.51
CTSL P07711 4/20 0.50
CTSK P43235 3/20 0.50
CTSS P25774 3/20 0.50
POLB P06746 2/20 0.50
CTSB P07858 2/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
TYR P14679 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
ACE P12821 1/20 0.47
MBTPS1 Q14703 1/20 0.47

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
SCHEMBL18924800 0.81 CTSK (0.58) TACR1CTSLCTSKCTSSPOLB
SCHEMBL6898524 0.81 TACR1 (0.62) TACR1CTSLCTSKCTSSPOLB
SCHEMBL13968379 0.81 ALDH1A1 (0.62) TACR1CTSLCTSKCTSSPOLB
SCHEMBL15080871 0.80 TACR1 (0.68) TACR1CTSLCTSKCTSSCTSB
SCHEMBL6512181 0.80 PPID (0.46) TACR1POLBITGB3ITGAV
SCHEMBL7420017 0.80 MEN1 (0.46) CTSLCTSKCTSSCTSBITGB3
SCHEMBL22144261 0.79 CTSK (0.66) TACR1CTSLCTSKCTSSCTSB
SCHEMBL20381057 0.79 CTSK (0.66) TACR1CTSLCTSKCTSSCTSB
SCHEMBL6440663 0.78 CTSL (0.64) TACR1CTSLCTSKCTSSCTSB
SCHEMBL28862069 0.78 CTSK (0.58) CTSLCTSKCTSSCTSBALDH1A1

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
WO-2010057220-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-20 WO disclosed