SCHEMBL8923643

SCHEMBL8923643

CCC(CC(=O)c1ccc2c(c1)SCC(=O)N2)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ MAOB P27338 10/20 0.47
▸ MAOA P21397 9/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL7489249 0.82 MAOB (0.56) HTTMAOBMAOAEPHX2LMNA
SCHEMBL9730163 0.77 HTT (0.56) HTTMAOBMAOAEPHX2LMNA
SCHEMBL8921236 0.77 LMNA (0.51) HTTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL8786235 0.77 MAOB (0.56) HTTMAOBMAOAEPHX2LMNA
SCHEMBL3006703 0.76 HTT (0.79) HTTMAOBMAOAEPHX2LMNA
SCHEMBL9730392 0.76 HTT (0.51) HTTMAOBMAOAEPHX2LMNA
SCHEMBL8923640 0.75 TSHR (0.35) EPHX2NPC1MEN1KMT2A
SCHEMBL8786021 0.75 MAOB (0.61) HTTMAOBMAOAEPHX2LMNA
SCHEMBL5461698 0.72 MAOB (0.54) HTTMAOBMAOAEPHX2LMNA
SCHEMBL22226781 0.71 LMNA (0.82) HTTMAOBMAOAEPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 — — US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 — — EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 — — WO disclosed
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