SCHEMBL29028829

SCHEMBL29028829

C=COC(=O)C(C1CCCC1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8405366 0.98 EPHX1 (0.47) EPHX1ALDH1A1NPSR1GAANPC1
SCHEMBL8030743 0.79 ALDH1A1 (0.40) EPHX1ALDH1A1NPSR1GAANPC1
SCHEMBL6893759 0.74 EPHX1 (0.52) EPHX1ALDH1A1NPSR1GAANPC1
SCHEMBL9846853 0.70 EPHX1 (0.52) EPHX1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3538057 0.70 EPHX1 (0.52) EPHX1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL23930274 0.68 EPHX1 (0.50) EPHX1
SCHEMBL8150350 0.68 EPHX1 (0.50) EPHX1
SCHEMBL873008 0.68 EPHX1 (0.50) EPHX1
SCHEMBL27569372 0.68 EPHX1 (0.50) EPHX1
SCHEMBL27528551 0.68 EPHX1 (0.50) EPHX1

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-116333641-A Environment-friendly high-molecular lithium ion power battery adhesive and preparation method thereof 江西新前沿科技有限公司 2023-06-27 CN disclosed