SCHEMBL30280786

SCHEMBL30280786

Nc1cc(C2CCC2)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.58
▸ TBK1 Q9UHD2 6/20 0.47
▸ IKBKE Q14164 3/20 0.47
▸ KMO O15229 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PPM1B O75688 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL27718282 0.95 ACMSD (0.64) ACMSDTBK1IKBKEKMOALDH1A1
SCHEMBL27636958 0.88 ACMSD (0.47) ACMSDTBK1IKBKEKMOALDH1A1
SCHEMBL27512856 0.85 ACMSD (0.45) ACMSDTBK1IKBKEKMOALDH1A1
SCHEMBL29156207 0.84 ACMSD (0.69) ACMSDTBK1IKBKEKMOKDM4E
SCHEMBL21857477 0.83 ACMSD (0.44) ACMSDTBK1IKBKEALDH1A1KDM4E
SCHEMBL27545241 0.83 ACMSD (0.53) ACMSDTBK1KMOALDH1A1KDM4E
SCHEMBL3985016 0.81 ACMSD (0.51) ACMSDTBK1KMOALDH1A1KDM4E
SCHEMBL28283624 0.81 ACMSD (0.69) ACMSDTBK1IKBKEKMOALDH1A1
SCHEMBL31422825 0.81 ACMSD (0.42) ACMSDTBK1IKBKEKMOALDH1A1
SCHEMBL30280751 0.81 ALDH1A1 (0.55) ACMSDALDH1A1KDM4EHPGDHSD17B10

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 — — CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 — — CN disclosed
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