SCHEMBL8640100

SCHEMBL8640100

Cc1c(CCC(=O)O)cc(-n2nc3ccccc3n2)c(O)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
GAA P10253 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
SCHEMBL547104 0.84 NPC1 (0.37) NR1H4NPC1RAB9APOLBLMNA
SCHEMBL8362661 0.84 NR1H4 (0.44) NR1H4NPC1RAB9APOLBLMNA
SCHEMBL29721171 0.80 CYSLTR2 (0.36) NR1H4NPC1RAB9APOLBLMNA
SCHEMBL8835025 0.80 NR1H4 (0.37) NR1H4NPC1RAB9APOLBPPARG
SCHEMBL7696202 0.77 NPC1 (0.40) NR1H4NPC1RAB9APOLBLMNA
SCHEMBL29768287 0.77 MAOB (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL100766 0.77 MAOB (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL2045035 0.76 NPC1 (0.50) NPC1RAB9APOLBLMNAPPARG
SCHEMBL28881625 0.76 NPC1 (0.42) NPC1RAB9APOLBLMNAPPARG
SCHEMBL30440369 0.75 NPC1 (0.46) NPC1RAB9APOLBLMNAPPARG

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
US-5821554-A REACTING TEREPHTHALIC ACID AND ADIPIC ACID WITH POLYHYDRIC ALCOHOL, REACTING PRODUCT WITH POLYISOCYANATE; LOW DENSITY, HIGH TENSILE STRENGTH FOAM KAO CORPORATION (JP) 1998-10-13 US disclosed
US-5739377-A STABILIZER FOR POLYMERS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed