SCHEMBL4351632

SCHEMBL4351632

O=C(NCCCO)c1[c]cccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CDK1 P06493 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CCR3 P51677 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 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
SCHEMBL1416028 0.90 ALDH1A1 (0.45) HTTALDH1A1KDM4EHPGDRAB9A
SCHEMBL5965196 0.85 TSHR (0.60) HTTHPGDRAB9ATSHRPOLB
SCHEMBL14938127 0.84 ALOX15 (0.51) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14937955 0.84 TSHR (0.42) HTTALDH1A1KDM4EHPGDRAB9A
SCHEMBL9771647 0.84 ATM (0.54) HTTTSHRHIF1AMEN1KMT2A
SCHEMBL5006927 0.84 NAAA (0.58) HTTALDH1A1HPGDTSHRMEN1
SCHEMBL7585175 0.83 NAAA (0.60) HTTALDH1A1HPGDTSHR
SCHEMBL11836338 0.83 NAAA (0.60) HTTALDH1A1HPGDTSHR
SCHEMBL9771503 0.83 NAAA (0.60) HTTALDH1A1HPGDTSHR
SCHEMBL9768773 0.83 NAAA (0.60) HTTALDH1A1HPGDTSHR

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed