SCHEMBL18508975

SCHEMBL18508975

C/C=C(/CC)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL18084151 0.85 HPGD (0.40) HPGDERCC5FEN1MAOAMAOB
SCHEMBL17265664 0.83 HPGD (0.39) HPGDERCC5FEN1MAOAMAOB
SCHEMBL14887456 0.83 MAOA (0.41) HPGDERCC5FEN1MAOAMAOB
SCHEMBL27427796 0.83 MAOA (0.41) HPGDERCC5FEN1MAOAMAOB
SCHEMBL13957399 0.83 HPGD (0.41) HPGDERCC5FEN1MAOAMAOB
SCHEMBL20879355 0.81 MAOA (0.42) HPGDERCC5FEN1MAOAMAOB
SCHEMBL18084165 0.80 NPC1 (0.45) HPGDTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL10580663 0.80 NPC1 (0.45) HPGDTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL7947843 0.79 HPGD (0.47) HPGDERCC5FEN1TSHRMAPK1
SCHEMBL15250257 0.77 MAPT (0.43) HPGDTSHRALDH1A1MEN1KMT2A

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed