SCHEMBL6440648

SCHEMBL6440648

CCNCC(CC)NCC.CCNCCCNCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.42
KDM1A O60341 5/20 0.41
SAT1 P21673 3/20 0.39
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCC3 O15438 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 2/20 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
SCHEMBL331674 0.89 TP53 (0.37) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL22908383 0.78 TSHR (0.48) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL1741392 0.74 LMNA (0.43) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL330921 0.72
SCHEMBL25557969 0.70 KDM4E (0.33) TSHRKDM4E
SCHEMBL28688849 0.70 KDM4E (0.33) KDM4E
SCHEMBL1741291 0.70 TSHR (0.38) CYP1A2TSHRLMNAKDM4ECNR1
SCHEMBL21153276 0.70 CYP2C19 (0.33) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL7172409 0.69
Bis(Ethyl)Norspermine SCHEMBL429527 0.69 CYP2C19 (1.00) CYP2C19MEN1GLAKMT2ACYP1A2

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-1270645-B1 Resin for optical material MITSUBISHI GAS CHEMICAL CO (JP) 2005-12-14 EP disclosed