SCHEMBL8798399

SCHEMBL8798399

CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1CO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 4/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
PLA2G1B P04054 1/20 0.57
NFKB1 P19838 1/20 0.57
CASP3 P42574 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57

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
SCHEMBL8798712 0.85 MAPT (0.62) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10562235 0.85 MAPT (0.59) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9316823 0.82 ALDH1A1 (0.58) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10843103 0.80 MAPT (0.59) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL8798148 0.80 ALDH1A1 (0.68) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL11003266 0.79 MAPT (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28346187 0.78 ALDH1A1 (0.64) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12701382 0.78 MAOA (0.50) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL29375440 0.77 MAPT (0.67) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL86392 0.77 MAPT (0.67) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1

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-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed