SCHEMBL2661178

SCHEMBL2661178

COC(=O)c1ccc(C(C)Cc2ccccc2OCBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 6/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 3/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL2661179 0.80 MAPT (0.41) L3MBTL1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL23434798 0.74 MAPT (0.59) L3MBTL1TDP1MAPTRAB9ASMN1; SMN2
SCHEMBL27720296 0.71 CA1 (0.50) MAPTRAB9ASMN1; SMN2DPP4NPC1
SCHEMBL1191400 0.70 MAPT (0.51) L3MBTL1TDP1MAPTRAB9ASMN1; SMN2
SCHEMBL14967316 0.70 MAPT (0.63) L3MBTL1TDP1MAPTRAB9ASMN1; SMN2
SCHEMBL2667033 0.70 CA1 (0.49) MAPTRAB9ASMN1; SMN2DPP4NPC1
SCHEMBL16684851 0.70 L3MBTL1 (0.52) L3MBTL1TDP1MAPTRAB9ATSHR
SCHEMBL14966780 0.70 CA1 (0.52) TDP1MAPTRAB9ATSHRDPP4
SCHEMBL1791209 0.70 L3MBTL1 (0.52) L3MBTL1TDP1MAPTRAB9ATSHR
SCHEMBL5798809 0.69 NPC1 (0.46) L3MBTL1TDP1MAPTRAB9ASMN1; SMN2

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
EP-1863755-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES Merck & Co., Inc. (US) 2007-12-12 — — EP disclosed
WO-2006102067-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES MERCK & CO., INC. (US) 2006-09-28 — — WO disclosed
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