SCHEMBL8960606

SCHEMBL8960606

CCC(=O)OCc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.57
RXRA P19793 7/20 0.56
RXRB P28702 6/20 0.56
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXRG P48443 1/20 0.49
NR4A2 P43354 4/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RARB P10826 1/20 0.46

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
SCHEMBL7641621 0.88 ALDH1A1 (0.52) HTTALDH1A1POLBMAPK1L3MBTL1
SCHEMBL16887456 0.85 RXRA (0.49) HTTALDH1A1RXRARXRBNPC1
SCHEMBL1871761 0.82 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPK1L3MBTL1
SCHEMBL2623828 0.82 RXRA (0.47) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL111605 0.82 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPK1L3MBTL1
SCHEMBL126010 0.82 KMT2A (0.57) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL18087031 0.82 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8887802 0.82 CA12 (0.62) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25527470 0.81 FOLH1 (0.49) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL22279481 0.81 ALDH1A1 (0.53) ALDH1A1RXRARXRBNPC1POLB

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
EP-0694605-A2 Cyclic diesters and their use as perfuming ingredients FIRMENICH SA (CH) 1996-01-31 EP disclosed