SCHEMBL25943204

SCHEMBL25943204

CCOC(=O)/C=C(\C)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ THRB P10828 1/20 0.54
▸ MAPK1 P28482 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ MITF O75030 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HPGD P15428 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47

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
SCHEMBL11715321 0.88 ALDH1A1 (0.68) MAPTALDH1A1LMNATHRBMAPK1
SCHEMBL11715338 0.88 ALDH1A1 (0.68) MAPTALDH1A1LMNATHRBMAPK1
SCHEMBL11723450 0.87 SMN1; SMN2 (0.54) MAPTALDH1A1LMNAMAPK1POLB
SCHEMBL11723465 0.87 SMN1; SMN2 (0.54) MAPTALDH1A1LMNAMAPK1POLB
SCHEMBL5040554 0.86 MEN1 (0.55) ALDH1A1LMNAMAPK1RAB9ANPC1
SCHEMBL5040549 0.86 MEN1 (0.55) ALDH1A1LMNAMAPK1RAB9ANPC1
SCHEMBL1717228 0.85 MAPT (0.51) MAPTALDH1A1LMNATHRBMAPK1
SCHEMBL1974848 0.85 MAPT (0.51) MAPTALDH1A1LMNATHRBMAPK1
SCHEMBL1717226 0.85 MAPT (0.51) MAPTALDH1A1LMNATHRBMAPK1
SCHEMBL2886492 0.83 HSD17B10 (0.55) MAPTALDH1A1LMNAMAPK1HTT

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 — — EP disclosed
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