SCHEMBL4311344

SCHEMBL4311344

CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)N(CCCCCCCCCCCCC)CCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.50
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
SLC22A1 O15245 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL1970702 0.89 LMNA (0.44) DNM1TSHRCA12CA1CA2
SCHEMBL10994980 0.89 LMNA (0.44) DNM1TSHRCA12CA1CA2
SCHEMBL23138383 0.89 DNM1 (0.41) DNM1TSHRTHRBSLC22A1CA12
SCHEMBL10583794 0.88 MMP1 (0.36) DNM1TSHRTHRBSLC22A1CA12
SCHEMBL15161673 0.85 DNM1 (0.48) DNM1TSHRTHRBSLC22A1CA12
SCHEMBL7192484 0.84 DNM1 (0.46) DNM1TSHRTHRBSLC22A1CA12
SCHEMBL3365357 0.83 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL10379464 0.83 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL9396454 0.83 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL9815759 0.83 DNM1 (0.50) DNM1TSHRTHRBCA12CA1

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
WO-2009135813-A1 DEGRADABLE MATERIAL BASF SE (DE) 2009-11-12 WO disclosed