SCHEMBL8073700

SCHEMBL8073700

CCOC(=O)C(O)(CO)CCCCCCOCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8059386 0.92 ALDH1A1 (0.38) ALDH1A1TSHRNPC1RAB9AHSD17B10
SCHEMBL8070650 0.81 L3MBTL1 (0.45) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL8068601 0.80 CYP1A2 (0.40) TSHRHSD17B10MEN1KMT2ACYP4F2
SCHEMBL8059314 0.79 CYP4F2 (0.33) ALDH1A1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL7571177 0.77 NPC1 (0.47) ALDH1A1TSHRNPC1RAB9AHSD17B10
SCHEMBL7571500 0.76 TDP1 (0.48) ALDH1A1TSHRNPC1RAB9AHSD17B10
SCHEMBL8074868 0.76 TBXAS1 (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL7578408 0.74 TDP1 (0.46) ALDH1A1TSHRNPC1RAB9AHSD17B10
SCHEMBL8070653 0.74 TDP1 (0.51) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8074794 0.74 CYP1A2 (0.40) TSHRCYP4F2CYP4A11

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-6030993-A INHIBITORS OF CARNITINE PALMITOYL TRANSFERASE; ANTIDIABETIC,-LIPEMIC AND HYPOGLYCEMIC AGENTS; SIDE EFFECT REDUCTION SANG SUP JEW (KR) 2000-02-29 US disclosed
WO-1998000389-A1 2-HYDROXYPROPIONIC ACID DERIVATIVE AND ITS MANUFACTURING METHOD JEW SANG SUP (KR) 1998-01-08 WO disclosed