SCHEMBL16370596

SCHEMBL16370596

CC(O)C(Oc1ccc2c(c1)CCCC2)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
HTT P42858 2/20 0.36
PPARA Q07869 1/20 0.36
HPGD P15428 1/20 0.36
HTR7 P34969 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL16370718 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL16371130 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALOX15TSHR
Hydrochloric Acid SCHEMBL16371043 0.79 FKBP1A (0.49) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL16370936 0.79 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AHRH3LMNA
SCHEMBL16370882 0.78 CYP1A2 (0.47) MEN1KMT2AALOX15HSD17B10MAPK1
SCHEMBL16370623 0.78 MEN1 (0.56) SMN1; SMN2MEN1KMT2AHSD17B10LMNA
SCHEMBL16371037 0.76 KMT2A (0.51) SMN1; SMN2MEN1KMT2ATSHRHSD17B10
SCHEMBL16473527 0.70 TSHR (0.50) SMN1; SMN2KMT2AALOX15TSHRHSD17B10
SCHEMBL11635461 0.70 HRH3 (0.41) SMN1; SMN2HRH3POLBALDH1A1MAPT
SCHEMBL6832889 0.69 CHRNB2 (0.39) MEN1KMT2ATSHRHSD17B10MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015004485-A1 THERAPEUTIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-15 WO claimed
WO-2015004485-A1 THERAPEUTIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-15 WO disclosed