SCHEMBL10535289

SCHEMBL10535289

CCOC(=O)C1CCC(=CCCCC(=O)O)CC1.CCOC(=O)C1CCC(=CCCCCC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PTPN1 P18031 3/20 0.38
PPM1B O75688 1/20 0.38
PPP1CC P36873 1/20 0.38
TERT O14746 3/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
FABP4 P15090 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL10535075 0.89 PPM1B (0.41) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10533539 0.83 MAPT (0.40) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL880070 0.82 MAPT (0.39) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10290660 0.82 MAPT (0.43) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL879910 0.80 MAPT (0.42) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL29191208 0.78 MAPT (0.40) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL849880 0.75 POLB (0.41) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL2329373 0.74 MAPT (0.44) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL879911 0.74 KMT2A (0.39) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL28822221 0.74 MAPT (0.46) MAPTKMT2ASMN1; SMN2MEN1NPC1

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
WO-1989011496-A1 SIDE-CHAIN POLYMERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-30 WO disclosed