SCHEMBL296969

SCHEMBL296969

C[C@@H]1CN(CC[O])C[C@@H](C)O1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
EBP Q15125 1/20 0.55
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDK1 Q15118 1/20 0.39
HTT P42858 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL296970 1.00 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4024634 1.00 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296048 1.00 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4023892 0.88 SIGMAR1 (0.64) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4021409 0.86 SIGMAR1 (0.68) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL23254095 0.81 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL10129057 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL22858956 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL9922437 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL10129761 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
EP-1709965-A2 Methods of treating cytokine mediate diseases Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-11 EP disclosed
US-6916814-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed