SCHEMBL28130415

SCHEMBL28130415

C=C(C)C(=O)OC.C=Cc1cccc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 3/20 0.41
KDM4E B2RXH2 4/20 0.38
GAA P10253 1/20 0.38
CDC25B P30305 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35

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
SCHEMBL11857749 0.87 MTNR1A (0.49) ALDH1A1MAPTMAPK1MTNR1AMTNR1B
SCHEMBL11232755 0.85 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL30075844 0.85 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL1483930 0.85 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2ACYP1A2
Anthracene SCHEMBL909619 0.82 ALDH1A1 (0.60) ALDH1A1MEN1MAPTKMT2ACYP1A2
Methacrylic Acid SCHEMBL27520585 0.81 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL28157624 0.81 ALDH1A1 (0.58) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL28267752 0.81 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AMITF
SCHEMBL909620 0.79 MTNR1A (0.44) ALDH1A1MEN1MAPTKMT2AMITF
SCHEMBL27113 0.79 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2AMITF

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-106459556-B Thermoplastic elastomer (TPE) grain and by the molding molded product of this 株式会社可乐丽 2019-03-15 CN disclosed
CN-106459556-A Thermoplastic elastomer pellets, and molded article formed from the pellets 株式会社可乐丽 2017-02-22 CN disclosed