SCHEMBL16744244

SCHEMBL16744244

CCCOCC(OCCO)C(OCCC)C(OCCO)C(OCCO)C(COCCO)OCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.33
LPAR5 Q9H1C0 1/20 0.30
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL16687523 1.00 HSD17B10 (0.42) HSD17B10TDP1TSHRALDH1A1MEN1
SCHEMBL14525698 0.98 HSD17B10 (0.43) HSD17B10TDP1TSHRALDH1A1MEN1
SCHEMBL16744243 0.98 HSD17B10 (0.43) HSD17B10TDP1TSHRALDH1A1MEN1
SCHEMBL16687521 0.98 HSD17B10 (0.43) HSD17B10TDP1TSHRALDH1A1MEN1
SCHEMBL16687519 0.98 TSHR (0.40) HSD17B10TDP1TSHRALDH1A1MEN1
SCHEMBL4883410 0.88 HSD17B10 (0.46) HSD17B10TDP1HTTUSP2LPAR5
SCHEMBL3212002 0.88 TSHR (0.43) TSHRALDH1A1MEN1KMT2AMAPK1
SCHEMBL17429426 0.83 TSHR (0.43) TSHRALDH1A1MEN1KMT2AMAPK1
SCHEMBL16232655 0.79 HSD17B10 (0.43) HSD17B10TDP1HTTUSP2LPAR5
SCHEMBL19038898 0.79 TSHR (0.47) TSHRALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150145920-A1 METHOD OF JETTING INK XEROX CORPORATION (US) 2015-05-28 US disclosed