SCHEMBL23366510

SCHEMBL23366510

CC(C)N1CN(C(C)C)c2cc(O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ MYC P01106 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ HSD17B3 P37058 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL19454489 0.78 HSD17B10 (0.37) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL16525749 0.73 HPGD (0.37) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL26689195 0.72 ALDH1A1 (0.39) KDM4EMAPTALDH1A1PKMHSD17B3
Iodide SCHEMBL26677808 0.71 ALDH1A1 (0.38) KDM4EMAPTALDH1A1PKMHSD17B3
Bicarbonate SCHEMBL26677805 0.70 NOTUM (0.43) KDM4EMAPTALDH1A1HSD17B3HPGD
SCHEMBL23484494 0.69 CHRM2 (0.47) ALDH1A1ESR1ESR2DRD2DRD1
SCHEMBL24613022 0.68 — —
SCHEMBL16525775 0.67 MAOA (0.40) MAPTMEN1KMT2A
SCHEMBL23369215 0.66 — —
SCHEMBL23966170 0.64 CARM1 (0.37) —

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
EP-3821981-A1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2021-05-19 — — EP disclosed
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