SCHEMBL9545966

SCHEMBL9545966

COC(=O)C(CS)CC(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NPC1 O15118 5/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL29041191 0.90 KMT2A (0.72) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL29041217 0.84 KMT2A (0.84) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL29041235 0.83 KMT2A (0.62) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL29041199 0.83 KMT2A (0.62) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL29041202 0.83 KMT2A (0.62) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL29041233 0.83 L3MBTL1 (0.72) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL6370484 0.82 TSHR (0.55) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL29041229 0.81 MAPT (0.65) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL19659999 0.80 L3MBTL1 (0.60) KMT2AL3MBTL1NPC1MEN1RAB9A
SCHEMBL28326834 0.79 KMT2A (0.64) KMT2AL3MBTL1NPC1MEN1RAB9A

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
JP-5051358-A — — None — — JP disclosed
JP-H0551358-A 3-BENZOYLPROPIONIC ACID DERIVATIVE TAISHO PHARMACEUT CO LTD 1993-03-02 — — JP disclosed
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