SCHEMBL8769729

SCHEMBL8769729

CCCCCCOC(C)(O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.45
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 2/20 0.41
NAAA Q02083 1/20 0.41
CES2 O00748 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.40
GBA1 P04062 1/20 0.40
EPHX1 P07099 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL1899591 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL13456958 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL20145201 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL15308094 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
Ammonia Solution, Strong SCHEMBL6230421 0.83 CES1 (0.44) CES1THRBMEN1HTTKMT2A
SCHEMBL2808705 0.82 CES1 (0.42) CES1THRBMEN1HTTKMT2A
SCHEMBL30634500 0.82 CES1 (0.47) CES1THRBMEN1HTTKMT2A
SCHEMBL4939579 0.81 LPAR3 (0.43) CES1THRBMEN1HTTKMT2A
SCHEMBL29219352 0.81 CES1 (0.42) CES1THRBMEN1HTTKMT2A
SCHEMBL28142304 0.81 CES1 (0.42) CES1THRBMEN1HTTKMT2A

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
EP-0453953-B1 Process for the production of printing plates or photoresist by imagewise exposure of a photopolymerisable registration material AGFA GEVAERT AG (DE) 1997-09-24 EP disclosed
EP-0453953-A2 Process for the production of printing plates or photoresist by imagewise exposure of a photopolymerisable registration material HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-30 EP disclosed