SCHEMBL8412847

SCHEMBL8412847

O=[C][C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CTRB1 P17538 5/20 0.49
HPGDS O60760 1/20 0.47
PTPN1 P18031 2/20 0.47
CA2 P00918 3/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CA1 P00915 2/20 0.46
CTSB P07858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL18689376 0.94 CTSL (0.57) CTSLCTRB1PTPN1CA2CTSS
SCHEMBL40779 0.91 CTRB1 (0.58) CTSLNPC1RAB9ACTRB1PTPN1
SCHEMBL40780 0.91 CTRB1 (0.58) CTSLNPC1RAB9ACTRB1PTPN1
SCHEMBL8745478 0.81 PSMB8 (0.51) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL28473692 0.80 CTSL (0.64) CTSLPTPN1CTSSCTSKCTSB
SCHEMBL9143188 0.79 CTSC (0.67) CTSK
SCHEMBL7288504 0.79 CTSL (0.56) CTSLCTRB1CTSSCTSKCTSB
SCHEMBL8893265 0.79 CTSC (0.67) CTSK
SCHEMBL10724398 0.79 CTSL (0.56) CTSLCTRB1CTSSCTSKCTSB
SCHEMBL5996736 0.79 CTSC (0.67) CTSK

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-5986136-A Photolabeling reagent PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-11-16 US claimed
US-5986136-A Photolabeling reagent PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-11-16 US disclosed