SCHEMBL24095976

SCHEMBL24095976

CCCCCCNC(=O)NCC(O)CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
EPHX1 P07099 5/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
EPHX2 P34913 8/20 0.51
NAAA Q02083 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL26296600 0.84 ASAH1 (0.62) HPGDALDH1A1EPHX2
SCHEMBL8507635 0.82 HPGD (0.68) HPGDEPHX1ALDH1A1HTTEPHX2
SCHEMBL24095909 0.81 NPC1 (0.65) NAAA
SCHEMBL893362 0.78 TRPA1 (0.51) HPGDEPHX2CYP2C9CYP2C19
SCHEMBL26914633 0.78 CSNK1E (0.55) ALDH1A1
SCHEMBL15093939 0.78 EPHX2 (0.74) HPGDEPHX1ALDH1A1EPHX2
SCHEMBL15093399 0.78 EPHX2 (0.74) HPGDEPHX1ALDH1A1EPHX2
SCHEMBL15093824 0.78 EPHX2 (0.74) HPGDEPHX1ALDH1A1EPHX2
SCHEMBL15093712 0.78 EPHX2 (0.74) HPGDEPHX1ALDH1A1EPHX2
SCHEMBL15093656 0.78 EPHX2 (0.74) HPGDEPHX1ALDH1A1EPHX2

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-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed