SCHEMBL19722087

SCHEMBL19722087

C=C(CN)C(=O)OC1CCC(CCCCC)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.41
▸ PKM P14618 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TSHR P16473 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL19722441 0.96 NAAA (0.39) NAAAPKMHTTMEN1KMT2A
SCHEMBL19721998 0.87 NAAA (0.42) NAAAPKMHTTMEN1KMT2A
SCHEMBL19722515 0.86 NAAA (0.41) NAAAPKMHTTMEN1KMT2A
SCHEMBL19722111 0.86 NAAA (0.41) NAAAPKMHTTMEN1KMT2A
SCHEMBL23572220 0.84 NAAA (0.44) NAAAPKMHTTMEN1KMT2A
SCHEMBL19007876 0.83 NAAA (0.40) NAAAPKMHTTMEN1KMT2A
SCHEMBL19721991 0.83 NAAA (0.40) NAAAPKMHTTMEN1KMT2A
SCHEMBL19721901 0.83 NAAA (0.40) NAAAPKMHTTMEN1KMT2A
SCHEMBL15667591 0.82 TSHR (0.46) NAAAPKMHTTMEN1KMT2A
SCHEMBL19755080 0.82 NAAA (0.39) NAAAPKMHTTMEN1KMT2A

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
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — EP disclosed
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