SCHEMBL10830353

SCHEMBL10830353

COc1ccccc1CC(O)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ HPGD P15428 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL463315 0.85 KMT2A (0.50) HTTPOLBL3MBTL1MEN1KMT2A
SCHEMBL16815732 0.85 KMT2A (0.50) HTTPOLBL3MBTL1MEN1KMT2A
SCHEMBL8953561 0.85 KMT2A (0.50) HTTPOLBL3MBTL1MEN1KMT2A
SCHEMBL7516087 0.85 KMT2A (0.50) HTTPOLBL3MBTL1MEN1KMT2A
SCHEMBL28019826 0.81 HPGD (0.50) HTTPOLBNPSR1MEN1KMT2A
SCHEMBL18342037 0.78 CYP1A2 (0.48) HTTPOLBMEN1KMT2AHPGD
SCHEMBL28584327 0.78 CYP1A2 (0.48) HTTPOLBMEN1KMT2AHPGD
SCHEMBL28582434 0.78 CYP1A2 (0.48) HTTPOLBMEN1KMT2AHPGD
SCHEMBL10829626 0.78 LDHA (0.61) HTTL3MBTL1MEN1KMT2ANPC1
SCHEMBL7385695 0.77 CYP1A2 (0.59) HTTMEN1KMT2ACRHBPCRHR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4571409-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-02-18 — — US disclosed
US-4540697-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1985-09-10 — — US disclosed
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