SCHEMBL16640956

SCHEMBL16640956

CCNC(=O)N(CC1CO1)c1ccc(Cc2ccc(N(CC3CC3)CC3CO3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
S1PR1 P21453 4/20 0.31
MGLL Q99685 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16641016 0.90 ALOX5 (0.39) S1PR1MEN1KMT2A
SCHEMBL22872217 0.81 ALDH1A1 (0.34) S1PR1MGLLMEN1LMNAKMT2A
SCHEMBL14280445 0.81 ALDH1A1 (0.34) S1PR1MGLLMEN1LMNAKMT2A
SCHEMBL16622154 0.81 ALDH1A1 (0.34) S1PR1MGLLMEN1LMNAKMT2A
SCHEMBL27105326 0.81 ALDH1A1 (0.34) S1PR1MGLLMEN1LMNAKMT2A
SCHEMBL16640938 0.78 ALOX5 (0.45) MGLLKMT2ARAB9A
SCHEMBL16640966 0.75 ALOX5 (0.44) MEN1KMT2ARAB9A
SCHEMBL15195722 0.74 ALDH1A1 (0.40) MGLLMEN1LMNAKMT2A
SCHEMBL19828106 0.74 ALDH1A1 (0.40) MGLLMEN1LMNAKMT2A
SCHEMBL142324 0.74 ALDH1A1 (0.40) MGLLMEN1LMNAKMT2A

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-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 US disclosed