SCHEMBL4779075

SCHEMBL4779075

CCOCCN(c1cc(-c2ccc(-c3cn4ccsc4n3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
HPGD P15428 3/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 5/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
DGAT1 O75907 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4779079 1.00 TP53 (0.42) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL14290989 0.93 TP53 (0.42) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4779524 0.93 TP53 (0.43) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4779530 0.93 TP53 (0.43) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4778426 0.88 FASN (0.42) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4778424 0.88 FASN (0.42) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4776424 0.84 SMN1; SMN2 (0.42) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4776418 0.84 SMN1; SMN2 (0.42) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4143244 0.82 TP53 (0.46) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4143238 0.82 TP53 (0.46) TP53SMN1; SMN2NPC1RAB9AHPGD

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
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO claimed
WO-2008016278-A1 FURAN-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-02-07 WO claimed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed