SCHEMBL27472542

SCHEMBL27472542

C=CC(=O)c1ccc(C)c(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
SLC22A12 Q96S37 1/20 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
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 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
SCHEMBL27488701 0.89 FFAR4 (0.56) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL69666 0.84 RXRA (0.70) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL71526 0.82 RXRA (0.58) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL71773 0.82 PARP10 (0.59) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL31241237 0.81 LMNA (0.59) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL69503 0.81 RXRA (0.57) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL16929834 0.81 LMNA (0.59) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL27453865 0.78 TNFRSF1A (0.54) RXRASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2786958 0.78 NPC1 (0.55) RXRARXRBRXRGSMN1; SMN2HPGD
SCHEMBL1443169 0.77 NR4A1 (0.68) SMN1; SMN2NPC1RAB9AHDAC6FFAR4

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
CN-1181090-C Aspartyl dipeptide ester derivatives and sweeteners ֮����ʽ���� 2004-12-22 CN disclosed
CN-1296493-A Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-05-23 CN disclosed