SCHEMBL30713049

SCHEMBL30713049

CON(C)C(=O)c1ccc(OC(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ ACACB O00763 7/20 0.39
▸ PARP10 Q53GL7 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ACACA Q13085 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL12896081 0.86 GCK (0.45) KMT2AACACBPARP10ALDH1A1ACACA
SCHEMBL5266868 0.84 DYRK1A (0.46) ALDH1A1POLBDYRK1ACLK1DYRK1B
SCHEMBL165125 0.78 MAPK1 (0.57) KMT2AACACBPARP10ABL1ALDH1A1
SCHEMBL30342167 0.78 MEN1 (0.46) KMT2ADYRK1ACLK1DYRK1B
SCHEMBL104785 0.78 ACACB (0.47) KMT2AACACBPARP10ABL1ALDH1A1
SCHEMBL5649401 0.78 KMT2A (0.55) KMT2AACACBPARP10ALDH1A1KDM4E
SCHEMBL711104 0.78 KMT2A (0.55) KMT2AACACBPARP10ALDH1A1KDM4E
SCHEMBL30697569 0.78 GPR88 (0.43) —
SCHEMBL15069756 0.77 KDM4E (0.47) ALDH1A1POLBKDM4ECYP2C19
SCHEMBL17963167 0.76 PARP10 (0.56) KMT2AACACBPARP10ALDH1A1ACACA

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-117285516-A Dehydrogenated phenyl achyranthis statin compound, preparation method and application thereof 大连万众益生大健康有限公司 2023-12-26 — — CN disclosed
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