SCHEMBL3709687

SCHEMBL3709687

CCC(=NO)c1ccco1.CCOC(=O)C(=O)C(C)C(=NO)c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ABL1 P00519 1/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
RIN1 Q13671 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL3709686 1.00 NPC1 (0.37) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL2775907 0.93 RAB9A (0.41) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL2775911 0.93 RAB9A (0.41) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL3070004 0.75 CES2 (0.43) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL2776826 0.75 CES2 (0.43) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL2776829 0.75 CES2 (0.43) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL3711794 0.73 ALDH1A1 (0.48) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL3711791 0.73 ALDH1A1 (0.48) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL2777213 0.72 ALDH1A1 (0.48) NPC1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL2777208 0.72 ALDH1A1 (0.48) NPC1KMT2AMAPTTSHRSMN1; SMN2

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
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed