SCHEMBL8901828

SCHEMBL8901828

CCCCCC1CCC(C[C@@H]2O[C@H]2CCCCC)(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
FASN P49327 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAPT P10636 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL28623967 0.74 MAPT (0.43) PKMMEN1KMT2AHTTPOLB
SCHEMBL17027427 0.72 TP53 (0.41) PKMMEN1KMT2AHTTPOLB
SCHEMBL2576207 0.71 TP53 (0.40) PKMMEN1KMT2AHTTPOLB
SCHEMBL5478105 0.70 TP53 (0.43) PKMMEN1KMT2AHTTTP53
SCHEMBL10450411 0.70 TP53 (0.43) PKMMEN1KMT2AHTTTP53
SCHEMBL10471196 0.70 TP53 (0.43) PKMMEN1KMT2AHTTTP53
Bicarbonate SCHEMBL11329202 0.69 MAPT (0.53) PKMMEN1KMT2AHTTPOLB
SCHEMBL10481719 0.69 TP53 (0.42) PKMMEN1KMT2AHTTPOLB
SCHEMBL10435336 0.69 CYP1A2 (0.44) PKMMEN1KMT2AHTTTP53
SCHEMBL28319003 0.69 CYP1A2 (0.47) PKMMEN1KMT2AHTTPOLB

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-5630962-A 2-Fluoropyridines, their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
US-5445763-A Ferroelectricity; switching and/or display devices containing outer plates, electrodes, at least one polarizer and one alignment layer HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed