SCHEMBL28741989

SCHEMBL28741989

CCOC(CCCc1cc(C(N)=O)ccc1C(N)=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.39
▸ PARP10 Q53GL7 2/20 0.38
▸ EPHX1 P07099 1/20 0.36
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL2967220 0.80 GABRP (0.44) MAPK1PARP10HSD17B10SLC6A3CYP1A2
SCHEMBL5183184 0.80 MAPK1 (0.41) MAPK1PARP10MMP2MMP13TSHR
SCHEMBL20981385 0.79 MEN1 (0.43) MAPK1SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL27699889 0.77 MEN1 (0.45) MAPK1TSHRSLC6A3KDM4EMEN1
SCHEMBL20553924 0.77 MEN1 (0.45) MAPK1TSHRSLC6A3KDM4EMEN1
SCHEMBL27721837 0.77 MEN1 (0.45) MAPK1TSHRSLC6A3KDM4EMEN1
SCHEMBL29290752 0.77 MEN1 (0.45) MAPK1TSHRSLC6A3KDM4EMEN1
SCHEMBL28080162 0.77 MEN1 (0.45) MAPK1TSHRSLC6A3KDM4EMEN1
SCHEMBL27804389 0.77 MEN1 (0.45) MAPK1TSHRSLC6A3KDM4EMEN1
SCHEMBL2977013 0.77 HSD17B10 (0.42) MAPK1PARP10TSHRHSD17B10SLC6A4

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-114539535-B Single-component room-temperature-cured elastoplastic silicone resin containing acylamino and preparation method thereof 中蓝晨光化工研究设计院有限公司 2023-04-07 — — CN disclosed
CN-114539535-A Single-component room-temperature-cured elastoplastic silicone resin containing acylamino and preparation method thereof 中蓝晨光化工研究设计院有限公司 2022-05-27 — — CN disclosed
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