SCHEMBL29078027

SCHEMBL29078027

NC(=O)Oc1ccc(C(O)C2CCCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ CHEK2 O96017 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ METAP2 P50579 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ METAP1 P53582 1/20 0.33

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
SCHEMBL26154073 0.76 CHRNA7 (0.40) DHODHHRH3SLC6A3MEN1KMT2A
SCHEMBL23630658 0.73 NNMT (0.41) MEN1KMT2AACACB
SCHEMBL26081151 0.72 DHODH (0.44) DHODHHRH3ADRB1ADRB3SLC6A3
SCHEMBL16763014 0.72 CHRNA7 (0.41) MEN1KMT2AACACB
SCHEMBL28355063 0.71 PIK3CA (0.35) —
SCHEMBL25344789 0.71 DHODH (0.51) DHODHMEN1KMT2A
SCHEMBL27710771 0.71 NNMT (0.39) MEN1KMT2AACACB
SCHEMBL29077941 0.70 KDM4E (0.49) HRH3KMT2A
SCHEMBL8799763 0.68 ALOX5 (0.58) —
SCHEMBL22585602 0.67 L3MBTL1 (0.48) SLC6A3

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-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 — — CN disclosed
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