SCHEMBL29619577

SCHEMBL29619577

O=C=NC(C1CCCCC1)C(N=C=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 2/20 0.34
SHBG P04278 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL939785 0.80 ALDH1A1 (0.42) ALDH1A1EPHX1SHBGTP53
Cyclohexane SCHEMBL4981074 0.80 ALDH1A1 (0.42) ALDH1A1EPHX1SHBGTP53
SCHEMBL105924 0.80 ALDH1A1 (0.42) ALDH1A1EPHX1SHBGTP53
SCHEMBL2768891 0.80 ALDH1A1 (0.42) ALDH1A1EPHX1SHBGTP53
SCHEMBL131131 0.77 ALDH1A1 (0.39) ALDH1A1EPHX1
SCHEMBL957438 0.76 ALDH1A1 (0.39) ALDH1A1EPHX1SHBG
SCHEMBL1149018 0.76 ALDH1A1 (0.39) ALDH1A1EPHX1SHBG
SCHEMBL957439 0.76 ALDH1A1 (0.39) ALDH1A1EPHX1SHBG
SCHEMBL3284053 0.76 ALDH1A1 (0.39) ALDH1A1EPHX1TP53
SCHEMBL2471084 0.76 ALDH1A1 (0.39) ALDH1A1EPHX1SHBGTP53

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-114645481-A Roll and device for making paper, cardboard, household paper and the like 维美德技术有限公司 2022-06-21 CN disclosed