SCHEMBL9575428

SCHEMBL9575428

CCCOCC(COC(C)C)OCOC(COCCC)COC(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 1/20 0.34
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL9575549 0.90 LPAR1 (0.40) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL9575535 0.89 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL9575740 0.83 HSD17B10 (0.35) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL9575515 0.83 LMNA (0.31)
SCHEMBL6988663 0.82
SCHEMBL9575523 0.78 LPAR1 (0.46) HSD17B10LPAR1LPAR3LPAR2USP2
SCHEMBL9575513 0.78
SCHEMBL209403 0.77 HSD17B10 (0.50) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL18510371 0.76 LPAR1 (0.58) LPAR1LPAR3LPAR2USP2HTT
SCHEMBL12410368 0.75 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2

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-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed