SCHEMBL19869604

SCHEMBL19869604

CCOc1cc(N(CC)CC)ccc1C1(c2ccc(C)cc2C)OC(=O)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
MAPT P10636 6/20 0.34
NPSR1 Q6W5P4 6/20 0.34
LMNA P02545 4/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
THRB P10828 2/20 0.32
HTT P42858 1/20 0.32
GPR35 Q9HC97 1/20 0.32
RPS6KA2 Q15349 1/20 0.31
RAB9A P51151 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
SCHEMBL9183030 0.95 CYP3A4 (0.39) CYP3A4MAPTNPSR1LMNAPOLB
SCHEMBL30444451 0.93 CYP3A4 (0.42) CYP3A4MAPTNPSR1LMNAALDH1A1
SCHEMBL28284 0.93 CYP3A4 (0.42) CYP3A4MAPTNPSR1LMNAALDH1A1
SCHEMBL29430021 0.93 CYP3A4 (0.42) CYP3A4MAPTNPSR1LMNAALDH1A1
SCHEMBL9184105 0.92 CYP3A4 (0.39) CYP3A4MAPTNPSR1LMNAPOLB
SCHEMBL9184678 0.92 CYP3A4 (0.39) CYP3A4MAPTNPSR1LMNAPOLB
SCHEMBL9186497 0.89 ALDH1A1 (0.41) CYP3A4MAPTNPSR1LMNAALDH1A1
SCHEMBL11967217 0.89 CYP3A4 (0.39) CYP3A4MAPTNPSR1LMNAALDH1A1
SCHEMBL20383174 0.89 CYP3A4 (0.39) CYP3A4MAPTNPSR1LMNAALDH1A1
SCHEMBL9255478 0.87 CYP3A4 (0.39) CYP3A4MAPTNPSR1LMNAPOLB

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-20180043717-A1 THERMOSENSITIVE RECORDING MATERIAL AND METHOD FOR MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2018-02-15 US disclosed