SCHEMBL11071296

SCHEMBL11071296

CCOC(=O)[C@H](CCCCc1ccccc1)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CPA3 P15088 1/20 0.48
ALOX5 P09917 2/20 0.46
S1PR2 O95136 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
SCHEMBL11071293 1.00 MAPT (0.51) MAPTRXFP1SMN1; SMN2HDAC3MAPK1
SCHEMBL11071468 0.99 MAPT (0.54) MAPTRXFP1SMN1; SMN2HDAC3MAPK1
SCHEMBL11071463 0.99 MAPT (0.54) MAPTRXFP1SMN1; SMN2HDAC3MAPK1
SCHEMBL10816014 0.96 SMN1; SMN2 (0.51) MAPTRXFP1SMN1; SMN2HDAC3MAPK1
SCHEMBL10816013 0.96 SMN1; SMN2 (0.51) MAPTRXFP1SMN1; SMN2HDAC3MAPK1
SCHEMBL10815670 0.90 CPA3 (0.51) MAPTSMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL10815672 0.90 CPA3 (0.51) MAPTSMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL6778466 0.88 MEN1 (0.53) MAPTSMN1; SMN2ALOX5MEN1NPC1
SCHEMBL10815058 0.87 MAPT (0.56) MAPTRXFP1SMN1; SMN2HDAC3MAPK1
SCHEMBL10816854 0.86 MAPT (0.58) MAPTRXFP1SMN1; SMN2HDAC3MAPK1

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
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed