SCHEMBL9056505

SCHEMBL9056505

COc1ccc(C(=O)CNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.57
ATM Q13315 1/20 0.53
MAPT P10636 2/20 0.52
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ACHE P22303 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL9056509 0.95 ALDH1A1 (0.57) NPC1RAB9AALDH1A1ATMMAPT
SCHEMBL3230023 0.87 LMNA (0.59) ALDH1A1PLAUCA1CA2L3MBTL1
SCHEMBL2793841 0.86 LMNA (0.55) ALDH1A1LMNASMN1; SMN2KMT2ACTSL
SCHEMBL2789869 0.83 LMNA (0.52) ALDH1A1CA1CA2LMNASMN1; SMN2
SCHEMBL2794017 0.83 LMNA (0.57) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL7158550 0.82 CA1 (0.46) NPC1RAB9AALDH1A1ATMMAPT
SCHEMBL7158540 0.82 CTSK (0.71) CTSLCTSBCTSSCTSK
SCHEMBL7158545 0.82 CA1 (0.46) NPC1RAB9AALDH1A1ATMMAPT
SCHEMBL27783096 0.82 NPC1 (0.65) NPC1RAB9AALDH1A1ATMMAPT
SCHEMBL11561410 0.82 NPC1 (0.65) NPC1RAB9AALDH1A1ATMMAPT

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
JP-8277256-A None JP disclosed
JP-H08277256-A OPTICALLY ACTIVE (S)-2-BENZYLOXYCARBONYLAMINO-1-(4-METHOXYPHENYL)ETHANOL AND ITS PRODUCTION KAWAKEN FINE CHEM CO LTD 1996-10-22 JP disclosed