SCHEMBL19954776

SCHEMBL19954776

CCN(CC)c1ccc2c(c1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.53
KDM4E B2RXH2 7/20 0.53
MAPT P10636 6/20 0.53
TDP1 Q9NUW8 4/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 3/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
THRB P10828 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
TERT O14746 1/20 0.48
S100B P04271 1/20 0.47
L3MBTL1 Q9Y468 6/20 0.45
CYP3A4 P08684 4/20 0.45
MAPK1 P28482 4/20 0.45
TSHR P16473 2/20 0.45
GFER P55789 2/20 0.45

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
SCHEMBL4894950 0.81 CYP3A4 (0.53) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL26963075 0.80 KDM4E (0.51) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL8600774 0.80 KDM4E (0.51) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL5671334 0.79 KDM4E (0.47) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL24091879 0.78 KDM4E (0.42) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL26962981 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL30014961 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL4811389 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL2622632 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTTDP1HSD17B10
SCHEMBL29385647 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTDP1HSD17B10

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-9917273-B2 Cross-linking polymer and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-13 US disclosed