SCHEMBL7992811

SCHEMBL7992811

CCCCCCCCCCCC(=O)c1c[se]cc1C(=O)CCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.55
HTT P42858 2/20 0.54
ALDH1A1 P00352 3/20 0.49
PLA2G2A P14555 2/20 0.49
PLA2G5 P39877 2/20 0.49
FFAR1 O14842 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
PPARG P37231 4/20 0.45
PPARD Q03181 4/20 0.45
PPARA Q07869 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45

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
SCHEMBL7989421 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL7977179 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL7988696 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL7988096 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL7987614 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL7991547 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL7994989 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL7991446 1.00 HSD17B3 (0.55) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL2745090 0.76 HSD17B3 (0.50) HSD17B3HTTALDH1A1PLA2G2APLA2G5
SCHEMBL2745393 0.76 HSD17B3 (0.50) HSD17B3HTTALDH1A1PLA2G2APLA2G5

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
US-6197922-B1 ELECTROCHEMICAL POLYMERIZATION USING PALLADIUM COMPLEX CATALYST; STILLE AND SUZUKI REACTIONS BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0902043-A2 Polyselenophenes, process for their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1999-03-17 EP disclosed