SCHEMBL11486124

SCHEMBL11486124

C/C(=C\c1ccc(C(C)(C)C)cc1)CN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11486129 1.00 SMN1; SMN2 (0.48) SMN1; SMN2USP2ALOX15TSHRALDH1A1
SCHEMBL11469183 0.87 HRH3 (0.48) SMN1; SMN2USP2ALOX15TSHRHRH3
SCHEMBL11488887 0.83 MAOB (0.41) SMN1; SMN2USP2ALOX15TSHRALDH1A1
SCHEMBL11489440 0.83 KDM4E (0.50) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL11494289 0.82 TSHR (0.43) SMN1; SMN2USP2ALOX15TSHRALDH1A1
SCHEMBL11494574 0.81 ALDH1A1 (0.47) SMN1; SMN2USP2ALOX15TSHRALDH1A1
SCHEMBL3574805 0.79 TSHR (0.71) SMN1; SMN2USP2ALOX15TSHRALDH1A1
SCHEMBL3574801 0.79 TSHR (0.71) SMN1; SMN2USP2ALOX15TSHRALDH1A1
SCHEMBL11493711 0.78 USP2 (0.39) SMN1; SMN2USP2ALOX15TSHRALDH1A1
SCHEMBL11487234 0.78 KDM4E (0.41) SMN1; SMN2USP2ALOX15TSHRALDH1A1

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
US-4241058-A INSECTICIDES, MITICIDES, SYSTEMIC HOFFMANN-LA ROCHE INC. (US) 1980-12-23 US disclosed