SCHEMBL30740405

SCHEMBL30740405

O=[N+]([O-])c1ccccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.51
LTA4H P09960 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
HSPB1 P04792 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 4/20 0.47
PTPN1 P18031 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46

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
SCHEMBL643370 1.00 POLB (0.64) POLBHPGDL3MBTL1ALDH1A1LTA4H
SCHEMBL14677574 0.84 LMNA (0.62) POLBHPGDALDH1A1HSPB1TDP1
SCHEMBL31090851 0.84 LMNA (0.62) POLBHPGDALDH1A1HSPB1TDP1
SCHEMBL9497260 0.84 L3MBTL1 (0.55) POLBHPGDL3MBTL1ALDH1A1LTA4H
SCHEMBL640851 0.84 L3MBTL1 (0.51) POLBHPGDL3MBTL1ALDH1A1LTA4H
SCHEMBL1340465 0.84 POLB (0.56) POLBHPGDL3MBTL1ALDH1A1TDP1
SCHEMBL1283885 0.83 HSPB1 (0.67) POLBHPGDL3MBTL1ALDH1A1LTA4H
SCHEMBL31090831 0.82 MAPT (0.60) POLBHPGDALDH1A1TDP1NPC1
SCHEMBL10588184 0.82 MAPT (0.60) POLBHPGDALDH1A1TDP1NPC1
SCHEMBL238962 0.81 L3MBTL1 (0.62) POLBHPGDL3MBTL1ALDH1A1LTA4H

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
CN-111936138-B Heterobicyclic compounds as EP4 receptor antagonists 深圳市原力生命科学有限公司 2024-03-08 CN disclosed