SCHEMBL11758299

SCHEMBL11758299

CCC(C)(C)c1ccc(O)c(C(=S)Nc2cccc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ HPGD P15428 3/20 0.42
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39

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
SCHEMBL11762772 0.89 POLB (0.52) POLBHTTCYP1A2MEN1KMT2A
SCHEMBL11759881 0.87 CYP1A2 (0.48) POLBHTTCYP1A2MEN1KMT2A
SCHEMBL11761064 0.81 CYP1A2 (0.56) CYP1A2MEN1KMT2AHPGDMAPT
SCHEMBL11758289 0.75 MEN1 (0.49) POLBHTTCYP1A2MEN1KMT2A
SCHEMBL11758305 0.71 NR1H4 (0.54) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11764247 0.69 PLG (0.56) POLBHPGDMAPTSMN1; SMN2NPC1
SCHEMBL11067456 0.68 ACHE (0.46) POLBHTTCYP1A2MEN1KMT2A
SCHEMBL29492899 0.67 ESR1 (0.70) TDP1
SCHEMBL2614950 0.67 ESR1 (0.70) TDP1
SCHEMBL13898693 0.67 HSP90AA1 (0.50) POLBHTTMEN1KMT2AHPGD

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
US-4008274-A ANTIFOULING YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-02-15 — — US disclosed
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