SCHEMBL19160682

SCHEMBL19160682

C=CCCCCC1CCSS1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 2/20 0.53
TARDBP Q13148 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C9 P11712 1/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
ACHE P22303 1/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3028458 0.96 HSD17B10 (0.49) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL29263924 0.85 HSD17B10 (0.67) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL3011991 0.80 HSD17B10 (0.54) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL8521624 0.80 HSD17B10 (0.58) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL754554 0.80 HSD17B10 (0.58) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL1476385 0.79 HSD17B10 (0.56) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL29249658 0.78 HSD17B10 (0.56) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL29249729 0.78 HSD17B10 (0.56) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL12245566 0.78 CA12 (0.61) HSD17B10KMT2ATARDBPTSHRCYP2C9
SCHEMBL15182687 0.77 HSD17B10 (0.54) HSD17B10KMT2ATARDBPTSHRCYP2C9

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
WO-2018053706-A1 COMPOSITION COMPRISING PAEONIFLORIN OR ALBIFLORIN ANALOGUE, METHOD OF PREPARATION THEREOF L'OREAL (FR) 2018-03-29 WO disclosed
EP-2640423-B1 LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY ISCHEMIX LLC (US) 2017-07-26 EP disclosed