SCHEMBL27106916

SCHEMBL27106916

CCCN(CC)CCN(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP2C9 P11712 2/20 0.50
HIF1A Q16665 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH2 P05091 1/20 0.33
HTR1A P08908 1/20 0.32
CA12 O43570 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
SCHEMBL23117186 1.00 CYP1A2 (0.50) CYP1A2HSD17B10CYP2C9HIF1AHPGD
SCHEMBL23117120 0.95 CYP1A2 (0.45) CYP1A2HSD17B10CYP2C9HIF1AHPGD
SCHEMBL1285188 0.95
Hydrochloric Acid SCHEMBL28210076 0.92 CYP1A2 (0.52) CYP1A2HSD17B10CYP2C9HIF1AHPGD
SCHEMBL21531945 0.92 CYP1A2 (0.56) CYP1A2HSD17B10CYP2C9HIF1AHPGD
SCHEMBL9641448 0.92 MAPT (0.40) CYP1A2HSD17B10CYP2C9HIF1AHPGD
SCHEMBL11697774 0.92 MAPT (0.40) CYP1A2HSD17B10CYP2C9HIF1AHPGD
Hydrochloric Acid SCHEMBL28210082 0.90 CYP1A2 (0.50) CYP1A2HSD17B10CYP2C9HIF1AHPGD
Hydrochloric Acid SCHEMBL28210081 0.90 CYP1A2 (0.50) CYP1A2HSD17B10CYP2C9HIF1AHPGD
Trolamine SCHEMBL11520004 0.89 CYP1A2 (0.58) CYP1A2HSD17B10CYP2C9HIF1AHPGD

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
EP-4328309-A2 LIPID COMPOSITION FUJIFILM Corporation (JP) 2024-02-28 EP disclosed