SCHEMBL29863141

SCHEMBL29863141

CCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.75
TSHR P16473 1/20 0.75
NAAA Q02083 3/20 0.72
HPGD P15428 2/20 0.64
ALDH1A1 P00352 3/20 0.58
ALOX15 P16050 2/20 0.56
EPHX1 P07099 3/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HCRTR1 O43613 1/20 0.55

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
SCHEMBL28427008 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL28422552 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL8963414 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL986325 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL23610299 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL2638598 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL23610316 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL11089466 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL14483849 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1
SCHEMBL8337568 1.00 HTT (0.75) HTTTSHRNAAAHPGDALDH1A1

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
CN-111333532-B N-alkyl phthalic diamide acid derivative and synthetic method and application thereof 江苏顶塑实业有限公司 2022-09-16 CN disclosed