SCHEMBL20032533

SCHEMBL20032533

CCCc1ccnc(CCC(CCC)NCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MME P08473 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MAPK1 P28482 2/20 0.33
PTGIR P43119 1/20 0.33
MAPT P10636 1/20 0.33
PTGER2 P43116 1/20 0.33
LTB4R Q15722 1/20 0.33
CTSA P10619 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL19214752 0.80 LNPEP (0.40) LNPEPLMNAKDM4ECYP3A4TSHR
SCHEMBL20032160 0.78 ALOX15 (0.42) LMNAKDM4ECYP3A4TSHRMAPT
SCHEMBL19214757 0.75 SIGMAR1 (0.33) TAS1R3TAS1R1
SCHEMBL20032530 0.74 TAS1R3 (0.34) KDM4ETAS1R3TAS1R1
SCHEMBL20032170 0.72 KDM4E (0.39) LNPEPLMNAKDM4ECYP3A4TSHR
SCHEMBL20032069 0.72 TRPV3 (0.36) LNPEPTSHRMMEMAPTPTGER2
SCHEMBL487201 0.71 KDM4E (0.56) LMNAKDM4ECYP3A4TSHRMAPT
SCHEMBL2619306 0.69 CYP1A2 (0.47) LNPEPLMNAKDM4ECYP3A4TSHR
SCHEMBL19214756 0.69 LNPEP (0.40) LNPEPLMNAKDM4ECYP3A4TSHR
SCHEMBL18158030 0.69 PTPRA (0.50) LMNATSHRMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed