SCHEMBL9769939

SCHEMBL9769939

C[CH]CNC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
HPGD P15428 3/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
NAAA Q02083 1/20 0.51
HDAC3 O15379 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRSS1 P07477 2/20 0.49
CTSG P08311 2/20 0.49
CTRB1 P17538 2/20 0.49
CMA1 P23946 2/20 0.49
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EPHX2 P34913 1/20 0.49
MTNR1A P48039 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
SCHEMBL28877332 0.85 HDAC3 (0.62) GAAHPGDLMNAALDH1A1POLB
SCHEMBL7208359 0.82 POLB (0.58) GAAHPGDLMNAALDH1A1POLB
SCHEMBL2148188 0.82 GAA (0.63) GAAHPGDLMNAALDH1A1POLB
SCHEMBL7212022 0.81 CYP1A2 (0.56) GAAHPGDLMNAALDH1A1NPC1
SCHEMBL9191272 0.81 LMNA (0.61) GAAHPGDLMNAALDH1A1POLB
SCHEMBL5604441 0.81 MTNR1A (0.59) GAAHPGDLMNAALDH1A1POLB
SCHEMBL83922 0.80 HPGD (0.86) GAAHPGDLMNAALDH1A1POLB
SCHEMBL14163780 0.79 GAA (0.55) GAAHPGDLMNAALDH1A1POLB
SCHEMBL9790439 0.79 MTNR1A (0.57) GAAHPGDLMNAALDH1A1POLB
SCHEMBL9790430 0.79 MTNR1A (0.57) GAAHPGDLMNAALDH1A1POLB

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
CN-1041919-C N-(3-piperidinylcarbonyl)-beta-alanine derivatives as PAF antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-03 CN disclosed
CN-1116847-A N- (3-piperidinylcarbonyl) -beta-aminopropionic acid derivatives as PAF antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-14 CN disclosed
US-5034371-A Cyan, yellow and magenta dyes FUJI PHOTO FILM CO., LTD. (JP) 1991-07-23 US disclosed