SCHEMBL21531945

SCHEMBL21531945

CCN(CCO)CCN(CCO)CCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 2/20 0.40
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH2 P05091 1/20 0.37
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
LMNA P02545 1/20 0.32
SLC29A1 Q99808 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDK1 P06493 1/20 0.30
CHRM2 P08172 1/20 0.30

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
SCHEMBL7847332 0.97 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL3923168 0.97 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL7847871 0.97 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
Trolamine SCHEMBL11520004 0.97 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL2845423 0.94 CYP1A2 (0.50) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL4847737 0.94 CYP1A2 (0.56) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL14075760 0.94 CYP1A2 (0.56) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL35602 0.94
SCHEMBL23117186 0.92 CYP1A2 (0.50) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL27106916 0.92 CYP1A2 (0.50) CYP1A2CYP2C9HPGDMAPK1HIF1A

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-20200411791-A1 ELECTRODE, PEROVSKITE LIGHT-EMITTING DIODE AND PREPARING METHOD THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-12-31 US disclosed
EP-2566442-B1 COMPOSITIONS COMPRISING EXTRACTS OF SOUTHERNWOOD AND AN AMINE COMPOUND JOHNSON & JOHNSON CONSUMER INC (US) 2019-10-30 EP disclosed