SCHEMBL16640949

SCHEMBL16640949

CCCCCNC(=O)N(Cc1cccc(CN(CC2CO2)CC2CO2)c1)C(=O)NCCCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.36
PTGES O14684 1/20 0.36
SPHK2 Q9NRA0 3/20 0.35
SPHK1 Q9NYA1 2/20 0.35
APP P05067 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
ACKR3 P25106 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL16641038 0.90 ALOX5 (0.36) ALOX5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL16640968 0.88 ALOX5 (0.43) ALOX5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL16644938 0.86 PTGES (0.41) ALOX5HPGDLMNAPTGESAPP
SCHEMBL16640970 0.81 ALOX5 (0.38) ALOX5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL20144628 0.78 SPHK2 (0.51) SPHK2SPHK1
SCHEMBL16640948 0.76 HTT (0.43) SPHK2SPHK1
SCHEMBL16640953 0.76 ALOX5 (0.40) ALOX5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL16640967 0.75 HTT (0.44) SPHK2SPHK1
SCHEMBL44458 0.74 ALDH1A1 (0.39) SMN1; SMN2LMNAKDM4E
SCHEMBL15314659 0.74 ALDH1A1 (0.39) SMN1; SMN2LMNAKDM4E

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