SCHEMBL16640938

SCHEMBL16640938

CCCCNC(=O)N(CC1CO1)c1ccc(Cc2ccc(N(CC3CO3)C(=O)NCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.43
HPGD P15428 3/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MGLL Q99685 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL16640966 0.95 ALOX5 (0.44) ALOX5LTB4R2HPGDHDAC1HDAC6
SCHEMBL16641016 0.91 ALOX5 (0.39) ALOX5LTB4R2HPGDHDAC1HDAC6
SCHEMBL16641028 0.86 ALOX5 (0.43) ALOX5LTB4R2HPGDHDAC1HDAC6
SCHEMBL16641015 0.85 ALOX5 (0.45) ALOX5LTB4R2HPGDMAPTKMT2A
SCHEMBL16640925 0.84 ALOX5 (0.42) ALOX5LTB4R2HPGDMAPTKMT2A
SCHEMBL16641025 0.82 ALOX5 (0.41) ALOX5LTB4R2HPGDHDAC1HDAC6
SCHEMBL16641026 0.82 ALOX5 (0.43) ALOX5LTB4R2HPGDHDAC1HDAC6
SCHEMBL16640956 0.78 CNR2 (0.32) KMT2ARAB9AMGLL
SCHEMBL16640955 0.77 ALOX5 (0.39) ALOX5LTB4R2HPGDKMT2ABCHE
SCHEMBL16640923 0.77 MGLL (0.43) BCHEMGLL

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