SCHEMBL7359487

SCHEMBL7359487

CCc1c(C)c2ccc(C(=O)OC)cc2n1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 2/20 0.42
RPS6KB1 P23443 1/20 0.42
USP14 P54578 1/20 0.41
MERTK Q12866 1/20 0.39
GABRP O00591 1/20 0.39

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
SCHEMBL7396922 0.87 L3MBTL1 (0.52) ALDH1A1L3MBTL1KDM4EMAPK1RAB9A
SCHEMBL7397412 0.79 L3MBTL1 (0.51) ALDH1A1L3MBTL1HTTKDM4ELMNA
SCHEMBL13011205 0.79 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2ATML3MBTL1
SCHEMBL13011202 0.79 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2ATML3MBTL1
SCHEMBL13635205 0.79 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2ATML3MBTL1
SCHEMBL7397784 0.78 PDE4A (0.64)
SCHEMBL7366097 0.77 GNRHR (0.43) ALDH1A1LMNAHPGDRAB9ACDK4
SCHEMBL13011277 0.76 ALDH1A1 (0.46) ALDH1A1NPSR1SMN1; SMN2ATML3MBTL1
SCHEMBL7971299 0.75 MERTK (0.48) ALDH1A1NPSR1SMN1; SMN2ATML3MBTL1
SCHEMBL28018819 0.75 ALDH1A1 (0.52) ALDH1A1NPSR1SMN1; SMN2ATML3MBTL1

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-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed