SCHEMBL18459797

SCHEMBL18459797

O=C(NCCCCCCNC(=O)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ POLB P06746 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ EPHX2 P34913 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ GAA P10253 1/20 0.56
▸ MAOA P21397 1/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ TRPV1 Q8NER1 1/20 0.53
▸ CHRM2 P08172 1/20 0.52

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
SCHEMBL18460166 0.98 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3056874 0.88 KMT2A (0.71) L3MBTL1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL18459626 0.85 PLAAT5 (0.67) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6436792 0.85 EPHX2 (0.80) SMN1; SMN2MEN1KMT2AEPHX2GAA
SCHEMBL6436358 0.85 EPHX2 (0.80) SMN1; SMN2MEN1KMT2AEPHX2GAA
SCHEMBL20673342 0.85 SMN1; SMN2 (0.81) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6438376 0.85 EPHX2 (0.80) SMN1; SMN2MEN1KMT2AEPHX2GAA
SCHEMBL4971236 0.82 EPHX2 (0.57) L3MBTL1ALDH1A1EPHX2EPHX1
SCHEMBL14670000 0.81 ALDH1A1 (0.57) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3834521 0.80 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2POLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844305-B2 Process for preparing a grease SHELL OIL COMPANY (US) 2020-11-24 — — US disclosed
US-20180223212-A1 PROCESS FOR PREPARING A GREASE SHELL USA, INC. 2018-08-09 — — US disclosed
US-20180223212-A1 PROCESS FOR PREPARING A GREASE SHELL USA, INC. 2018-08-09 — — US disclosed
WO-2017017020-A1 PROCESS FOR PREPARING A GREASE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2017-02-02 — — WO disclosed
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