SCHEMBL13686607

SCHEMBL13686607

CCc1ccc(-c2scc(C(C)=O)c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
EGFR P00533 1/20 0.40
HSD17B1 P14061 2/20 0.40
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 4/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
IKBKB O14920 1/20 0.35
IDO1 P14902 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 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
SCHEMBL12607270 0.88 PTGS1 (0.39) HPGDMAPTHSD17B1RAB9ASMN1; SMN2
SCHEMBL8404738 0.82 RAB9A (0.48) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL1784106 0.81 PTGS1 (0.48) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL277465 0.81 ABL1 (0.40) ALDH1A1HPGDMAPTGFERRAB9A
SCHEMBL277402 0.81 ALAD (0.39) ALDH1A1HPGDMAPTHTTEGFR
SCHEMBL280393 0.80 MAPT (0.53) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL277174 0.78 AKR1C2 (0.41) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL278003 0.77 KIF11 (0.41) ALDH1A1MAPTLMNA
SCHEMBL277239 0.77 AKR1C2 (0.44) RAB9ANPC1
SCHEMBL278084 0.75 MCL1 (0.44) ALDH1A1HPGDMAPTHTTHSD17B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009107799-A1 PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF 日産化学工業株式会社 (JP) 2009-09-03 WO disclosed