SCHEMBL24610200

SCHEMBL24610200

COc1ccc(CN(CC(C)CCO)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR1D1 P20393 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37

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
SCHEMBL29765192 1.00 TSHR (0.40) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL20471960 0.86 TSHR (0.44) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL29765069 0.85 ALDH1A1 (0.43) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL24610141 0.85 ALDH1A1 (0.43) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL20471952 0.85 TSHR (0.48) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL23995941 0.85 HDAC3 (0.40) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL29765190 0.85 HDAC3 (0.40) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL13547362 0.82 SSTR4 (0.49) TSHRALDH1A1MEN1KMT2ANPSR1
SCHEMBL30574610 0.80 L3MBTL1 (0.46) TSHRALDH1A1NPSR1TDP1HDAC3
SCHEMBL25609121 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPSR1TDP1

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-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
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