SCHEMBL4034055

SCHEMBL4034055

CCCCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
MMP1 P03956 4/20 0.42
MMP13 P45452 4/20 0.42
MMP9 P14780 3/20 0.42
ADAM17 P78536 3/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 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
SCHEMBL4035567 0.90 LMNA (0.48) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL4041277 0.88 KMT2A (0.41) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL3927380 0.88 CYP2D6 (0.45) L3MBTL1TSHRMAPK1ALDH1A1KMT2A
SCHEMBL3919279 0.85 L3MBTL1 (0.44) L3MBTL1TSHRMAPK1RECQLMMP1
SCHEMBL4037038 0.83 SMN1; SMN2 (0.41) KMT2AMAPTPKMGAAHTT
SCHEMBL4041475 0.82 MMP2 (0.39) L3MBTL1TSHRMMP13ALDH1A1KMT2A
SCHEMBL4032408 0.81 ALDH1A1 (0.52) TSHRRECQLALDH1A1KMT2AMEN1
SCHEMBL3920468 0.81 HSD11B1 (0.46) TSHRALDH1A1KMT2AMEN1GAA
SCHEMBL4037894 0.81 ALDH1A1 (0.54) L3MBTL1TSHRMAPK1ALDH1A1KMT2A
SCHEMBL5666160 0.80 TSHR (0.49) L3MBTL1TSHRMAPK1RECQLMMP1

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-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed