SCHEMBL31425728

SCHEMBL31425728

C=C(C)C(=O)N(C)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.59
GAA P10253 2/20 0.42
MMP9 P14780 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL4079681 1.00 SIGMAR1 (0.59) SIGMAR1GAAMMP9NPC1RAB9A
SCHEMBL27658805 0.83 SIGMAR1 (0.42) SIGMAR1
SCHEMBL3626830 0.82 SIGMAR1 (0.67) SIGMAR1GAANPC1RAB9ATSHR
SCHEMBL8150820 0.81 SIGMAR1 (0.65) SIGMAR1GAANPC1RAB9ANR4A1
SCHEMBL29733586 0.80 SIGMAR1 (0.56) SIGMAR1GAAMMP9NPC1RAB9A
SCHEMBL2428981 0.80 SIGMAR1 (0.56) SIGMAR1GAAMMP9NPC1RAB9A
SCHEMBL1336734 0.80 SIGMAR1 (0.56) SIGMAR1GAAMMP9TSHR
SCHEMBL1614544 0.79 SIGMAR1 (0.67) SIGMAR1GAACNR2NR4A1NR4A2
SCHEMBL29666490 0.79 SIGMAR1 (0.67) SIGMAR1GAACNR2NR4A1NR4A2
SCHEMBL10943508 0.77 SIGMAR1 (0.65) SIGMAR1GAACNR2NR4A1NR4A2

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-119372671-A Method for synthesizing amino acid compound by participation of carbon dioxide 新疆大学 2025-01-28 CN disclosed