SCHEMBL9056509

SCHEMBL9056509

COc1ccc(COC(=O)NCC(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
ATM Q13315 1/20 0.56
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 3/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9056505 0.95 NPC1 (0.57) ALDH1A1ATMNPC1RAB9AL3MBTL1
SCHEMBL3230023 0.87 LMNA (0.59) ALDH1A1L3MBTL1KMT2ACA1CA2
SCHEMBL8441435 0.84 ALDH1A1 (0.60) ALDH1A1ATMNPC1RAB9AL3MBTL1
SCHEMBL11027505 0.83 ATM (0.56) ALDH1A1ATMNPC1RAB9AL3MBTL1
SCHEMBL16321874 0.82 ALDH1A1 (0.57) ALDH1A1ATMNPC1RAB9AL3MBTL1
SCHEMBL11561410 0.82 NPC1 (0.65) ALDH1A1ATMNPC1RAB9AL3MBTL1
SCHEMBL27783096 0.82 NPC1 (0.65) ALDH1A1ATMNPC1RAB9AL3MBTL1
SCHEMBL20472129 0.81 ALDH1A1 (0.60) ALDH1A1ATMRAB9AMAPTKMT2A
SCHEMBL2793841 0.80 LMNA (0.55) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16468538 0.80 ATM (0.64) ALDH1A1ATMNPC1RAB9AL3MBTL1

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