SCHEMBL7799602

SCHEMBL7799602

CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 4/20 0.40
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MAPK1 P28482 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
SCHEMBL10051713 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL116376 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL987953 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL438257 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL17586846 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL272664 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL987771 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL9183077 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL12570287 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT
SCHEMBL13566433 1.00 HSD17B10 (0.45) HSD17B10MEN1KMT2ATHRBHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669946-B2 POLYMER PRODUCTION UNION CARBIDE CHEM PLASTIC (US) 2001-12-19 EP disclosed
EP-0669946-B1 POLYMER PRODUCTION UNION CARBIDE CHEM PLASTIC (US) 1998-07-01 EP disclosed
EP-0669946-A1 POLYMER PRODUCTION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-09-06 EP disclosed
WO-1995007943-A1 POLYMER PRODUCTION SHELL OIL COMPANY (US) 1995-03-23 WO disclosed
US-5118757-A Preventing fouling of recycle loop by adding alkylene compound to deactivate catalyst SHELL OIL COMPANY (US) 1992-06-02 US disclosed