SCHEMBL21557075

SCHEMBL21557075

CCC(CO)NCCC(C)CCCC(C)CCCC(C)CCCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CNR1 P21554 1/20 0.55
ADRA1A P35348 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ABCC3 O15438 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BLM P54132 1/20 0.39
PTPN1 P18031 2/20 0.39
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL11649834 1.00 LMNA (0.55) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL24331075 0.83 LMNA (0.67) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL21557074 0.81 LMNA (0.43) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL11645800 0.79 LMNA (0.50) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL24433260 0.74 LMNA (0.59) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL13519647 0.74 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL2961583 0.73 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL2636850 0.73 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL3399 0.73 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL15479016 0.73 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E

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-3166957-B1 SULFATED-GLYCOLIPIDS AS ADJUVANTS FOR VACCINES NAT RES COUNCIL CANADA (CA) 2019-11-13 EP disclosed