SCHEMBL29072986

SCHEMBL29072986

CC(N=C=O)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
SHBG P04278 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
EPHX1 P07099 1/20 0.30
ATM Q13315 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
SCHEMBL957438 0.78 ALDH1A1 (0.39) ALDH1A1SHBGCA12CA1CA2
SCHEMBL957439 0.78 ALDH1A1 (0.39) ALDH1A1SHBGCA12CA1CA2
SCHEMBL1149018 0.78 ALDH1A1 (0.39) ALDH1A1SHBGCA12CA1CA2
SCHEMBL2471084 0.78 ALDH1A1 (0.39) ALDH1A1SHBGEPHX1
SCHEMBL49907 0.73 ALDH1A1 (0.35) ALDH1A1SHBGCA12CA1CA2
SCHEMBL9439910 0.73
Cyclohexane SCHEMBL4981074 0.73 ALDH1A1 (0.42) ALDH1A1SHBGEPHX1
SCHEMBL2768891 0.73 ALDH1A1 (0.42) ALDH1A1SHBGEPHX1
SCHEMBL939785 0.73 ALDH1A1 (0.42) ALDH1A1SHBGEPHX1
SCHEMBL105924 0.73 ALDH1A1 (0.42) ALDH1A1SHBGEPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116801860-A Cosmetic composition with lasting matte effect LVMH研究公司 2023-09-22 CN disclosed
CN-116710057-A Cosmetic composition with gloss and long-lasting properties LVMH研究公司 2023-09-05 CN disclosed