SCHEMBL5497829

SCHEMBL5497829

CN1CCN(C(=O)c2c[c]ccc2O)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALOX15 P16050 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ HPGD P15428 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4A O75164 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL27991292 0.86 L3MBTL1 (0.49) HSP90AA1L3MBTL1ALOX15LMNATSHR
SCHEMBL16463399 0.81 L3MBTL1 (0.48) HSP90AA1L3MBTL1ALOX15LMNATSHR
SCHEMBL28291396 0.81 HSP90AA1 (0.50) HSP90AA1TSHRHPGDALDH1A1KDM4E
SCHEMBL28292798 0.81 L3MBTL1 (0.48) HSP90AA1L3MBTL1ALOX15LMNATSHR
SCHEMBL27991513 0.79 L3MBTL1 (0.48) L3MBTL1ALOX15LMNATSHRTP53
SCHEMBL182953 0.78 ALDH1A1 (0.54) L3MBTL1ALOX15LMNATSHRTP53
SCHEMBL28291406 0.77 HPGD (0.42) HSP90AA1L3MBTL1ALOX15LMNATSHR
SCHEMBL28271013 0.77 L3MBTL1 (0.66) HSP90AA1L3MBTL1ALOX15LMNATSHR
SCHEMBL744542 0.75 POLB (0.64) L3MBTL1ALOX15LMNATSHRKMT2A
SCHEMBL1298702 0.73 POLB (0.54) L3MBTL1ALOX15LMNATSHRKMT2A

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
EP-1761504-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2007-03-14 — — EP disclosed
WO-2005118554-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2005-12-15 — — WO disclosed
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