SCHEMBL5049798

SCHEMBL5049798

NCC(NCCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
KCNH2 Q12809 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
KDM1A O60341 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MAOA P21397 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL5283339 0.86 KCNH2 (0.50) SIGMAR1KCNH2SMN1; SMN2ALDH1A1NPC1
SCHEMBL9084597 0.81 SMN1; SMN2 (0.61) SIGMAR1SMN1; SMN2ALDH1A1CYP3A4IDO1
SCHEMBL21799747 0.79 SIGMAR1 (0.46) SIGMAR1KCNH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL10547652 0.79 TAAR1 (0.45) ALDH1A1LMNACYP3A4TSHRSLC6A2
SCHEMBL12637135 0.79 HTR2A (0.48) ALDH1A1LMNACYP3A4TSHRRAB9A
SCHEMBL22810528 0.79 TAAR1 (0.45) KCNH2CYP3A4HTR1AADRA2ATSHR
SCHEMBL1872028 0.79 TAAR1 (0.47) SIGMAR1LMNACYP2D6SLC6A2ADRA1A
SCHEMBL1878622 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1ATML3MBTL1EPHX2
SCHEMBL21799461 0.76 ALDH1A1 (0.53) ALDH1A1LMNATAAR1HTR2AMAPT
SCHEMBL21799774 0.76 CYP3A4 (0.49) KCNH2SMN1; SMN2ALDH1A1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819505-A4 POLYESTER/POLYAMIDE BLEND HAVING IMPROVED FLAVOR RETAINING PROPERTY AND CLARITY EASTMAN CHEM CO (US) 2008-09-24 EP disclosed
US-7375154-B2 Polyester/polyamide blend having improved flavor retaining property and clarity EASTMAN CHEMICAL COMPANY (US) 2008-05-20 US disclosed
EP-1819505-A2 POLYESTER/POLYAMIDE BLEND HAVING IMPROVED FLAVOR RETAINING PROPERTY AND CLARITY EASTMAN CHEMICAL COMPANY (US) 2007-08-22 EP disclosed
WO-2006062749-A2 POLYESTER/POLYAMIDE BLEND HAVING IMPROVED FLAVOR RETAINING PROPERTY AND CLARITY EASTMAN CHEMICAL COMPANY (US) 2006-06-15 WO disclosed
US-20060122306-A1 Polyester/polyamide blend having improved flavor retaining property and clarity EASTMAN CHEMICAL COMPANY 2006-06-08 US disclosed