SCHEMBL29078680

SCHEMBL29078680

C=CC(CCCCCCCCCCCCCCCC)N(OCCO)OCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL28355332 0.78 MEN1 (0.44) MEN1KMT2AHTTMAPTTHRB
SCHEMBL1243041 0.78 MEN1 (0.44) MEN1KMT2AHTTMAPTTHRB
SCHEMBL7525390 0.75 OPRM1 (0.42) MEN1KMT2AHTTMAPTTHRB
SCHEMBL10495638 0.75 LMNA (0.46) MEN1KMT2AHTTMAPTTHRB
SCHEMBL28051178 0.71 TSHR (0.39) THRBLMNATSHRPLA2G1B
SCHEMBL27521083 0.71 TSHR (0.39) THRBLMNATSHRPLA2G1B
SCHEMBL28146531 0.71 TSHR (0.39) THRBLMNATSHRPLA2G1B
SCHEMBL27585313 0.71 TSHR (0.39) THRBLMNATSHRPLA2G1B
Hydrochloric Acid SCHEMBL11148457 0.70 DNM1 (0.38) THRBLMNATSHRPLA2G1B
Hydrochloric Acid SCHEMBL27381339 0.70 DNM1 (0.38) THRBLMNATSHRPLA2G1B

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
CN-116547207-A Antibacterial and antiviral molded body and master batch 三井化学东赛璐株式会社 2023-08-04 CN disclosed