SCHEMBL28465249

SCHEMBL28465249

C=C(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.55
HPGD P15428 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
P2RX4 Q99571 2/20 0.50
FAAH O00519 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
EPHX1 P07099 1/20 0.48
MAPT P10636 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL7050756 0.74 ALDH1A1 (0.57) P2RX7HPGDMEN1KMT2AFAAH
SCHEMBL7705995 0.73 P2RX7 (0.71) P2RX7HPGDMEN1KMT2ANPSR1
SCHEMBL13569125 0.73 FAAH (0.65) HPGDMEN1KMT2AFAAHNPSR1
SCHEMBL25447578 0.73 P2RX7 (0.77) P2RX7P2RX4NPSR1ALDH1A1MAPT
SCHEMBL7661013 0.73 P2RX7 (0.49) P2RX7HPGDMEN1KMT2AP2RX4
SCHEMBL7661017 0.72 HPGD (0.54) P2RX7HPGDMEN1KMT2AP2RX4
SCHEMBL4599684 0.71 KDM4E (0.54) P2RX7HPGDMEN1KMT2AFAAH
SCHEMBL5923737 0.71 P2RX7 (1.00) P2RX7HPGDMEN1KMT2AMAPK1
SCHEMBL13276034 0.71 FAAH (0.53) P2RX7HPGDMEN1KMT2AFAAH
SCHEMBL1150351 0.71 USP2 (0.52) P2RX7HPGDMEN1KMT2AP2RX4

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-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN claimed
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN disclosed