SCHEMBL25913652

SCHEMBL25913652

CCCCN(CCCCO)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4603384 0.93 CYP2C19 (0.42) CNR2CYP2C19MAPTALDH1A1KDM4E
SCHEMBL4358315 0.91 EGFR (0.43) CNR2EGFRERBB2CYP2C19NR1H2
SCHEMBL147288 0.91 CYP2C19 (0.41) CNR2CYP2C19MAPTMCHR1ALDH1A1
SCHEMBL21242480 0.89 CNR2 (0.48) CNR2EGFRERBB2CYP2C19TP53
SCHEMBL627242 0.89 CYP2C19 (0.45) CNR2EGFRERBB2CYP2C19NR1H2
SCHEMBL11313427 0.87 CNR2 (0.49) CNR2EGFRERBB2CYP2C19TP53
Lithium Ion SCHEMBL19732617 0.87 CYP2C19 (0.44) CNR2EGFRERBB2CYP2C19NR1H2
SCHEMBL146243 0.87 CYP2C19 (0.44) CNR2EGFRERBB2SMN1; SMN2CYP2C19
SCHEMBL21065748 0.87 CYP2C19 (0.44) CNR2EGFRERBB2CYP2C19NR1H2
SCHEMBL22321039 0.85 CNR2 (0.51) CNR2CYP2C19TP53MCHR1ALDH1A1

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
EP-4389779-A1 POLYMER AND LIGHT CONTROL DEVICE National Institute of Information and Communications Technology (JP) 2024-06-26 EP disclosed
EP-4224135-A1 DETERMINATION METHOD, OPTICAL CONTROL ELEMENT AND MANUFACTURING METHOD THEREOF National Institute of Information and Communications Technology (JP) 2023-08-09 EP disclosed