SCHEMBL8019608

SCHEMBL8019608

CCCCCCCCCCCCCCOc1ccc(C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 2/20 0.68
HPGD P15428 2/20 0.68
HTT P42858 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
NR5A1 Q13285 1/20 0.61
HRH3 Q9Y5N1 1/20 0.57
MGLL Q99685 1/20 0.55
LTA4H P09960 3/20 0.55
TSHR P16473 2/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
PLA2G4B P0C869 1/20 0.53
HDAC1 Q13547 1/20 0.51

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
SCHEMBL19962762 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL2983725 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL6955769 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL19962765 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL18092571 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL15019508 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL17083534 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL6420383 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL7849485 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL2975014 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000071118-A1 PHOSPHOLIPASE A2-SPECIFIC INHIBITING COMPOUNDS UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2000-11-30 WO disclosed