SCHEMBL27698909

SCHEMBL27698909

O=C(O)c1ccc(COCCCF)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
NR4A2 P43354 3/20 0.49
PLA2G4B P0C869 1/20 0.46
RXRA P19793 8/20 0.45
RXRB P28702 7/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
RXRG P48443 3/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL27613996 0.84 NR4A2 (0.59) ALDH1A1NR4A2PLA2G4BRXRARXRB
SCHEMBL1750568 0.83 PLA2G4B (0.63) ALDH1A1PLA2G4BRXRARXRBNPC1
SCHEMBL2467522 0.83 ALDH1A1 (0.54) ALDH1A1NR4A2PLA2G4BRXRARXRB
SCHEMBL27595132 0.83 ALDH1A1 (0.54) ALDH1A1NR4A2PLA2G4BRXRARXRB
SCHEMBL27719363 0.83 ALDH1A1 (0.54) ALDH1A1NR4A2PLA2G4BRXRARXRB
SCHEMBL25960462 0.83 ALDH1A1 (0.54) ALDH1A1NR4A2PLA2G4BRXRARXRB
SCHEMBL1749669 0.81 PLA2G4B (0.65) ALDH1A1PLA2G4B
SCHEMBL27372528 0.81 ALDH1A1 (0.53) ALDH1A1NR4A2PLA2G4BRXRARXRB
SCHEMBL28317367 0.81 ALDH1A1 (0.53) ALDH1A1NR4A2PLA2G4BRXRARXRB
SCHEMBL27373602 0.81 ALDH1A1 (0.53) ALDH1A1NR4A2PLA2G4BRXRARXRB

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
CN-101142180-B Pyrrolidine derivatives as histamine h3 receptor antagonists LILLY CO ELI 2011-05-04 CN disclosed
CN-101142180-A Pyrrolidine derivatives as histamine h3 receptor antagonists LILLY CO ELI (US) 2008-03-12 CN disclosed