SCHEMBL3948165

SCHEMBL3948165

COc1ccccc1C(=O)C(F)(F)C(=O)CF

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
STAT3 P40763 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3990682 0.80 SMN1; SMN2 (0.53) CTSDNPC1SMN1; SMN2MAOBLMNA
SCHEMBL5446678 0.79 ERCC5 (0.41) SMN1; SMN2HPGDLMNAGAAHTT
SCHEMBL28518383 0.77 NPC1 (0.50) CTSDNPC1SMN1; SMN2MAOBHPGD
SCHEMBL4598908 0.77 CES2 (0.48) NPC1HPGDLMNARAB9AGAA
SCHEMBL9141895 0.76 NPC1 (0.62) CTSDNPC1SMN1; SMN2HPGDLMNA
SCHEMBL9559943 0.75 CTSD (0.56) CTSDNPC1SMN1; SMN2MAOBLMNA
SCHEMBL855233 0.74 MAPT (0.57) CTSDNPC1SMN1; SMN2HPGDSTAT3
SCHEMBL710253 0.73 NR4A1 (0.49) HPGDLMNATP53GAAHTT
SCHEMBL9072150 0.73 NPC1 (0.62) CTSDNPC1SMN1; SMN2HPGDLMNA
SCHEMBL27758670 0.73 CTSD (0.53) CTSDNPC1SMN1; SMN2HPGDSTAT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745143-A4 METHODS AND TOOLS FOR DETECTING COLLAGEN DEGRADATION CAMBREX BIO SCIENCE WALKERSVIL (US) 2009-07-29 EP disclosed
WO-2009026338-A1 INTRACELLULAR REPORTERS THE JOHNS HOPKINS UNIVERSITY (US) 2009-02-26 WO disclosed
EP-1745143-A1 METHODS AND TOOLS FOR DETECTING COLLAGEN DEGRADATION Cambrex Bio Science Walkersville, Inc (US) 2007-01-24 EP disclosed
WO-2005113794-A1 METHODS AND TOOLS FOR DETECTING COLLAGEN DEGRADATION CAMBREX BIO SCIENCE WALKERSVILLE, INC. (US) 2005-12-01 WO disclosed