SCHEMBL28039677

SCHEMBL28039677

O=C(O)CCCCCCCCCCCC1=CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.47
F13A1 P00488 3/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 5/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
TBXAS1 P24557 2/20 0.42
ALDH1A1 P00352 3/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
GPR84 Q9NQS5 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL13837931 0.93 HDAC3 (0.42) SCDF13A1MAPTRXFP1TSHR
SCHEMBL11594961 0.85 NPSR1 (0.41) SCDLMNAALDH1A1HDAC11ALOX15
SCHEMBL11074782 0.82
SCHEMBL11908924 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14878302 0.79
SCHEMBL12723487 0.79 ALDH1A1 (0.49) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6751710 0.79 F13A1 (0.53) SCDF13A1MAPTRXFP1TSHR
SCHEMBL6748342 0.79 F13A1 (0.53) SCDF13A1MAPTRXFP1TSHR
SCHEMBL14144642 0.78 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL22184133 0.78 NPC1 (0.43) MAPTTSHRLMNAALDH1A1TDP1

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
CN-105073846-A Diene/dienophile couples and thermosetting resin compositions having reworkability Henkel IP & Holding GmbH 2015-11-18 CN claimed
CN-105073846-A Diene/dienophile couples and thermosetting resin compositions having reworkability Henkel IP & Holding GmbH 2015-11-18 CN disclosed