SCHEMBL2786958

SCHEMBL2786958

Cc1ccc(C(=O)COCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
RXRA P19793 2/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
EGFR P00533 1/20 0.47
FFAR4 Q5NUL3 2/20 0.47
BRD4 O60885 3/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
FFAR1 O14842 1/20 0.45
MAOB P27338 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL69666 0.84 RXRA (0.70) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL4140084 0.82 EGFR (0.64) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL71526 0.82 RXRA (0.58) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL71773 0.82 PARP10 (0.59) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL31241237 0.81 LMNA (0.59) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL69503 0.81 RXRA (0.57) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL16929834 0.81 LMNA (0.59) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL6483625 0.81 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL9679321 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDRXRA
SCHEMBL27472542 0.78 RXRA (0.55) NPC1RAB9ASMN1; SMN2HPGDRXRA

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-2010128038-A1 HYDROQUINONE DERIVATIVES AXOGLIA THERAPEUTICS S.A. (LU) 2010-11-11 WO disclosed