SCHEMBL8489809

SCHEMBL8489809

CCC(C)OC(=O)C(CCCc1ccccc1)(CCN(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
FDPS P14324 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
GGPS1 O95749 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
PTPRG P23470 1/20 0.38
ACP1 P24666 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37

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
SCHEMBL8491129 0.93 OPRM1 (0.39) SIGMAR1FDPSSMN1; SMN2MEN1LMNA
SCHEMBL8490323 0.91 SIGMAR1 (0.40) SIGMAR1FDPSSMN1; SMN2KDM4EMEN1
SCHEMBL7616402 0.81 MAPT (0.41) SMN1; SMN2KMT2A
SCHEMBL3257459 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CYP2D6KMT2AKDM4A
SCHEMBL10522339 0.76 PTPN1 (0.43) SMN1; SMN2LMNAOPRM1PTPRCPTPN2
SCHEMBL5418047 0.75 FKBP1A (0.46) KDM4EMEN1KMT2A
SCHEMBL7615614 0.75 SMN1; SMN2 (0.42) FDPSSMN1; SMN2CYP2D6KMT2AKDM4A
SCHEMBL10522480 0.75 KMT2A (0.42) SIGMAR1KDM4EKMT2AL3MBTL1
SCHEMBL7617574 0.73 NPSR1 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL5428513 0.71 MAPT (0.39) FDPSSMN1; SMN2KDM4ECYP1A2CYP2D6

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
WO-1999058490-A2 NOVEL ARYL-HYDRO NAPHTHALENAL KANAMINES AKZO NOBEL N.V. (NL) 1999-11-18 WO disclosed