SCHEMBL6748637

SCHEMBL6748637

CCCOP(=O)(CC(C)O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
LPAR5 Q9H1C0 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARD Q03181 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL11687407 0.88 CYP3A4 (0.50) LPAR5MEN1KMT2ALPAR3LPAR1
SCHEMBL6750640 0.82 TSHR (0.50) TDP1TSHRMAPTMAPK1PPARD
SCHEMBL27910995 0.81 HSD17B10 (0.40) HSD17B10LPAR5TDP1MEN1KMT2A
SCHEMBL28916286 0.78 HSD17B10 (0.33) HSD17B10LPAR5MEN1KMT2ALPAR3
SCHEMBL10760222 0.72 HSD17B10 (0.50) HSD17B10LPAR5TDP1LPAR3LPAR1
SCHEMBL22974629 0.72 HSD17B10 (0.50) HSD17B10LPAR5TDP1MEN1KMT2A
SCHEMBL2477131 0.72 PPARD (0.41) LPAR5MEN1KMT2ALPAR3LPAR1
SCHEMBL6748583 0.72 CYP2C19 (0.34) TDP1TSHRALDH1A1
SCHEMBL13713305 0.71 LPAR5 (0.41) HSD17B10LPAR5TDP1MEN1KMT2A
SCHEMBL2478371 0.71 CTSA (0.33) HSD17B10LPAR5MEN1KMT2ALPAR3

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-20040224234-A1 for use in automobiles, sensors, electrochromic windows, displays, capacitors and ion-conducting films BASF AKTIENGESELLSCHAFT (DE) 2004-11-11 US disclosed
US-6475663-B1 Compositions suitable for electrochemical cells BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed