SCHEMBL31032711

SCHEMBL31032711

COc1cc(CC(C)=O)cc([Se]C#N)c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL31032575 0.82 CYP3A4 (0.44) MAPK10CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL2307800 0.80 PTGS2 (0.55) MAPK10CYP3A4KDM4ESMN1; SMN2LMNA
SCHEMBL31059030 0.78 LMNA (0.49) TSHRHPGDLMNAHTTKMT2A
SCHEMBL31432995 0.78 HPGD (0.50) MAPK10TSHRCYP3A4KDM4EHPGD
SCHEMBL31059026 0.78 LMNA (0.49) TSHRHPGDLMNAHTTKMT2A
SCHEMBL31032775 0.73 CYP3A4 (0.46) MAPK10TSHRCYP3A4KDM4ESMN1; SMN2
SCHEMBL30874271 0.71 ALOX15 (0.40) TSHRCYP3A4KDM4EHPGDHTT
SCHEMBL29243288 0.71 ALOX15 (0.40) TSHRCYP3A4KDM4EHPGDHTT
SCHEMBL28090838 0.71 MAPK10 (0.51) MAPK10TSHRKDM4ESMN1; SMN2LMNA
SCHEMBL2913406 0.70 LMNA (0.57) TSHRCYP3A4KDM4ELMNAPTGS2

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-118388384-A Organic selenium-propiophenone derivative and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-07-26 — — CN disclosed
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