SCHEMBL9768073

SCHEMBL9768073

CCCCC(O)C(O)CCNCC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
CES1 P23141 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.40
DPP4 P27487 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 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
SCHEMBL9768164 0.94 NAAA (0.48) NAAAJAK3BTKCES1CNR2
SCHEMBL9768084 0.94 NAAA (0.48) NAAAJAK3BTKCES1CNR2
SCHEMBL9768028 0.94 NAAA (0.48) NAAAJAK3BTKCES1CNR2
SCHEMBL9768038 0.94 NAAA (0.48) NAAAJAK3BTKCES1CNR2
SCHEMBL9768299 0.94 NAAA (0.48) NAAAJAK3BTKCES1CNR2
SCHEMBL9768001 0.91 KMT2A (0.43) NAAAJAK3BTKCES1KDM4E
SCHEMBL9768283 0.88 KMT2A (0.43) JAK3BTKCES1KDM4EMAPK1
SCHEMBL9768045 0.85 DPP4 (0.47) JAK3BTKCES1KDM4EMAPK1
SCHEMBL11310671 0.83 GAA (0.53) NAAAJAK3BTKCES1KDM4E
SCHEMBL4353659 0.82 NAAA (0.58) NAAACES1KDM4EMAPK1MEN1

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
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed