SCHEMBL18752986

SCHEMBL18752986

CCCNC(=O)CN(C)CCCOCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DNM1 Q05193 2/20 0.37
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
MCL1 Q07820 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL25089988 0.81 MEN1 (0.38) RAB9ASMN1; SMN2ALDH1A1TSHRDNM1
SCHEMBL26838432 0.77 MCL1 (0.48) RAB9ASMN1; SMN2TSHRHSD17B10DNM1
SCHEMBL13492963 0.76 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2ALDH1A1TSHRCASP1
SCHEMBL25090048 0.75 ALDH1A1 (0.46) RAB9ASMN1; SMN2ALDH1A1TSHRCASP1
SCHEMBL22305722 0.74 ALDH1A1 (0.45) RAB9ASMN1; SMN2ALDH1A1TSHRCASP1
SCHEMBL14235690 0.73 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2ALDH1A1TSHRCASP1
SCHEMBL13864737 0.73 DNM1 (0.47) ALDH1A1TSHRDNM1EPHX2
SCHEMBL13864786 0.73 DNM1 (0.47) ALDH1A1TSHRDNM1EPHX2
SCHEMBL14087568 0.72 CNR1 (0.42) SMN1; SMN2ALDH1A1TSHRDNM1L3MBTL1
SCHEMBL18752812 0.72 KDM4E (0.58) RAB9ASMN1; SMN2ALDH1A1TSHRCASP1

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-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 EP disclosed