SCHEMBL8306718

SCHEMBL8306718

CCOC(C)(Cc1ccc(OCCN2CCN(C)CCC2=O)cc1)C(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MMP1 P03956 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 3/20 0.39
GAA P10253 1/20 0.39
CACNA2D1 P54289 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PDK2 Q15119 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTA4H P09960 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
SCHEMBL8304776 0.89 NPC1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6950736 0.82 DRD3 (0.39) MEN1KMT2APPARGPPARAPDK2
SCHEMBL6952907 0.76 TP53 (0.40) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL8302884 0.73 PPARG (0.62) PPARGPPARA
SCHEMBL6950757 0.72 TNF (0.45) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL8305544 0.72 PPARG (0.51) PPARGPPARA
SCHEMBL8307977 0.72 PPARG (0.51) PPARGPPARA
SCHEMBL8308030 0.72 ITGB3 (0.48) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL6952404 0.72 TNF (0.46) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL6955388 0.72 MAPK1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed