SCHEMBL9702168

SCHEMBL9702168

NNC(=O)C(CCCC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.51
HDAC7 Q8WUI4 6/20 0.44
HDAC1 Q13547 5/20 0.44
LTA4H P09960 1/20 0.43
TBXAS1 P24557 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
ENPEP Q07075 2/20 0.40

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
SCHEMBL9702157 0.89 CTSD (0.50) CTSDHDAC7HDAC1HDAC3HDAC4
SCHEMBL908825 0.84 CTSD (0.51) CTSDHDAC7HDAC1SMN1; SMN2EPHX1
SCHEMBL7908764 0.81 CTSD (0.56) CTSDHDAC7HDAC1HDAC3HDAC4
SCHEMBL7908853 0.81 CTSD (0.56) CTSDHDAC7HDAC1HDAC3HDAC4
SCHEMBL7908761 0.81 CTSD (0.56) CTSDHDAC7HDAC1HDAC3HDAC4
SCHEMBL9007149 0.81 NAAA (0.51) CTSDHDAC7HDAC1HDAC3HDAC2
SCHEMBL2878605 0.81 CYP2C19 (0.50) HDAC7HDAC1TBXAS1HDAC3HDAC4
Methane SCHEMBL9007169 0.80 NAAA (0.50) CTSDHDAC7HDAC1HDAC3HDAC2
SCHEMBL8113733 0.80 CTSD (0.55) CTSDSMN1; SMN2ALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL908853 0.79 CTSD (0.53) CTSDHDAC7HDAC1HDAC3HDAC4

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-1992003732-A2 COMPOSITIONS AND METHODS FOR ENHANCED BINDING IN BIOLOGICAL ASSAYS BIOPROBE INTERNATIONAL, INC. (US) 1992-03-05 WO disclosed