SCHEMBL28894252

SCHEMBL28894252

C=CCOC(=O)N(C)[C@@H](C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL27032963 0.80 TDP1 (0.39) TDP1TSHRCYP3A4
SCHEMBL27131685 0.80 TDP1 (0.39) TDP1TSHRCYP3A4
SCHEMBL10912094 0.77 ALDH1A1 (0.40) SMN1; SMN2MAPTMEN1KMT2ACHRNB2
SCHEMBL25416858 0.77 ALDH1A1 (0.40) SMN1; SMN2MAPTMEN1KMT2ACHRNB2
SCHEMBL30564475 0.77 TSHR (0.38) TDP1TSHRCYP3A4
SCHEMBL27705276 0.76 TSHR (0.46) TDP1TSHRCYP3A4PKMSMN1; SMN2
SCHEMBL797852 0.74 — —
SCHEMBL23879167 0.73 CASP1 (0.33) TDP1TSHRCYP3A4
SCHEMBL7603108 0.73 TDP1 (0.43) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL4625216 0.73 TDP1 (0.43) TDP1TSHRCYP3A4SMN1; SMN2MAPT

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-115362162-A Heteroaryl compounds for the treatment of complement factor D mediated disorders 艾其林医药公司 2022-11-18 — — CN disclosed
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