SCHEMBL6995942

SCHEMBL6995942

COc1ccccc1-c1csc(C(=O)O)c1-n1cccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
DHODH Q02127 2/20 0.41
HPGDS O60760 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

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
SCHEMBL8189660 0.88 POLB (0.53) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL6998322 0.81 ALDH1A1 (0.46) TDP1POLBALDH1A1KDM4EHPGD
SCHEMBL27460074 0.80 ALDH1A1 (0.38) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL1549482 0.73 DHODH (0.55) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31540409 0.73 DHODH (0.55) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8127740 0.72 POLB (1.00) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL8187620 0.71 KDM4E (0.51) POLBL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7001436 0.70 SCD5 (0.41) HSD17B10
SCHEMBL1553666 0.70 ALDH1A1 (0.44) TDP1POLBALDH1A1KDM4EHPGD
SCHEMBL27729535 0.70 PRKCZ (0.54) TDP1ALDH1A1KDM4EHPGDHSD17B10

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-0982308-B1 Derivatives of the 8H-(2,3-b)-pyrrolizine-8-one, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-02-26 EP disclosed
EP-0982308-A1 Derivatives of the 8H-(2,3-b)-pyrrolizine-8-one, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-03-01 EP disclosed