SCHEMBL6465710

SCHEMBL6465710

CC(C)(C)CC(=O)N1CCC(CNC(=O)Nc2sc3c(c2C(=O)O)CCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
NOD1 Q9Y239 1/20 0.46
ABCC1 P33527 4/20 0.45
PTPN1 P18031 3/20 0.45
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPRB P23467 1/20 0.45
PTPRE P23469 1/20 0.45
PTPN6 P29350 1/20 0.45
GRIN2C Q14957 2/20 0.45
GAA P10253 1/20 0.44
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
KLF5 Q13887 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3914099 0.88 TLR2 (0.54) CNR1CNR2GAAKDM4EMAPT
SCHEMBL6438921 0.83 KMT2A (0.52) KMT2AMEN1CNR2NOD1ABCC1
SCHEMBL6437614 0.83 KMT2A (0.51) KMT2AMEN1CNR2NOD1ABCC1
SCHEMBL6438040 0.81 KMT2A (0.51) KMT2AMEN1NOD1GAAKDM4E
SCHEMBL6435397 0.79 KMT2A (0.53) KMT2AMEN1CNR2NOD1GAA
SCHEMBL6436355 0.79 KMT2A (0.54) KMT2AMEN1CNR2NOD1MAPT
SCHEMBL3914021 0.79 TLR2 (0.57) CNR1CNR2GAAKDM4EMAPT
SCHEMBL3914029 0.77 TLR2 (0.55) CNR1CNR2KDM4EMAPT
SCHEMBL3917748 0.77 TLR2 (0.55) CNR1CNR2GAAKDM4EMAPT
SCHEMBL6456408 0.77 ALDH1A1 (0.60) KMT2AMEN1CNR2NOD1KDM4E

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-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP claimed
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO claimed