SCHEMBL6688198

SCHEMBL6688198

O=CC=CCc1cccc(NC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CXCR4 P61073 1/20 0.38
ACKR3 P25106 6/20 0.37
EPHX2 P34913 2/20 0.36
POLB P06746 1/20 0.36
AR P10275 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PTPN1 P18031 2/20 0.35

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
SCHEMBL6686285 0.75 APP (0.35) SMN1; SMN2
SCHEMBL6832773 0.75 HDAC4 (0.33) SMN1; SMN2
SCHEMBL21257475 0.75 SMN1; SMN2 (0.63) SMN1; SMN2CXCR4ACKR3
SCHEMBL6683998 0.74 TDP1 (0.39) SMN1; SMN2AR
SCHEMBL6686708 0.74 MAPT (0.47) AR
SCHEMBL3427795 0.74 KDM4E (0.49) SMN1; SMN2EPHX2POLB
SCHEMBL24732889 0.73 DDB1 (0.52) SMN1; SMN2DDB1CRBN
SCHEMBL29808984 0.73 DDB1 (0.52) SMN1; SMN2DDB1CRBN
SCHEMBL21257469 0.73 SMN1; SMN2 (0.61) SMN1; SMN2ACKR3
SCHEMBL6686307 0.73 THRA (0.38) SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed