SCHEMBL7970978

SCHEMBL7970978

CCCCCOC1=CC[CH][C]=C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LTA4H P09960 3/20 0.33
TP53 P04637 2/20 0.32
HPGD P15428 1/20 0.32
CHRM1 P11229 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
PLA2G2A P14555 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7913057 0.69 NR5A1 (0.34) NR5A1NPC1RAB9ALTA4HTP53
SCHEMBL9574272 0.68 NR5A1 (0.37) NR5A1NPC1RAB9ALTA4HTP53
SCHEMBL9574530 0.68 NR5A1 (0.37) NR5A1NPC1RAB9ALTA4HTP53
SCHEMBL9574284 0.68 NR5A1 (0.37) NR5A1NPC1RAB9ALTA4HTP53
SCHEMBL8090507 0.67 THRA (0.36) NR5A1NPC1RAB9ALTA4HTP53
SCHEMBL7603559 0.63 TSHR (0.33) NR5A1NPC1RAB9ALTA4HTP53
SCHEMBL4140379 0.61 NR5A1 (0.48) NR5A1LTA4HTP53THRATHRB
SCHEMBL10690008 0.60 NR5A1 (0.52) NR5A1LTA4HTP53THRATHRB
SCHEMBL10858978 0.60 NR5A1 (0.52) NR5A1LTA4HTP53THRATHRB
SCHEMBL10693533 0.60 NR5A1 (0.52) NR5A1LTA4HTP53THRATHRB

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
WO-2001002375-A1 PROCESS FOR SYNTHESIZING OXADIAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-01-11 WO claimed
WO-2001002375-A1 PROCESS FOR SYNTHESIZING OXADIAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-01-11 WO disclosed