SCHEMBL17868865

SCHEMBL17868865

CCCCC(CC)CC1=NOc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 3/20 0.34
PDE2A O00408 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
XBP1 P17861 1/20 0.32
PPARG P37231 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 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
SCHEMBL9052322 0.75 MAOA (0.39) ALDH1A1KDM4ELMNATSHRGAA
SCHEMBL17868873 0.72 CYSLTR2 (0.33) ALDH1A1MAOAMAOB
SCHEMBL20614510 0.71 ALDH1A1 (0.33) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL29385746 0.69 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL153633 0.69 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL29544102 0.68 ALDH1A1 (0.42) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL9752879 0.67 ALDH1A1 (0.35) ALDH1A1CA2CYP3A4KDM4EPDE2A
Propionic Acid SCHEMBL16830271 0.67 SORT1 (0.36) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL14994717 0.67 PNMT (0.50) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL8706455 0.66 MAOA (0.39) MAOAMAOB

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-9803098-B2 Conductive ink PESOLVE CO., LTD. (KR) 2017-10-31 US disclosed
US-20160185990-A1 CONDUCTIVE INK YMT CO.,LTD. (KR) 2016-06-30 US disclosed