SCHEMBL16640975

SCHEMBL16640975

CCCCNC(=O)N(CC1CCCC(CN(CC2CO2)CC2CO2)C1)CC1CO1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
ALOX5 P09917 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
REN P00797 4/20 0.34
EPHX1 P07099 3/20 0.33
HPGD P15428 1/20 0.33
NAAA Q02083 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL19901226 0.87 EPHX1 (0.38) BCHEALOX5OPRM1OPRD1REN
SCHEMBL16640974 0.86 BCHE (0.34) BCHEALOX5OPRM1OPRD1REN
SCHEMBL16640977 0.82 ALOX5 (0.32) BCHEALOX5OPRM1OPRD1REN
SCHEMBL16641044 0.82 OPRM1 (0.31) OPRM1OPRD1
SCHEMBL16644955 0.80
SCHEMBL16640959 0.80 EPHX1 (0.32) EPHX1NAAA
SCHEMBL16644971 0.79 BCHE (0.31) BCHEEPHX1KDM4E
SCHEMBL16644930 0.79 ALDH1A1 (0.31) ALOX5
SCHEMBL16640954 0.76 SMN1; SMN2 (0.35) BCHE
SCHEMBL16640958 0.74 SMN1; SMN2 (0.36) BCHEEPHX1

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