SCHEMBL9211633

SCHEMBL9211633

CCCC12COC(c3ccc(C#CC(=O)O)cc3)(OC1)OC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
NPC1 O15118 1/20 0.30
HTT P42858 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
SCHEMBL9399928 0.86 NPSR1 (0.44) FFAR1
SCHEMBL9205319 0.86 FFAR1 (0.31) FFAR1
SCHEMBL9400153 0.86 GABRP (0.38) FFAR1GABRPGABRDGABRA1GABRB1
SCHEMBL9214518 0.83 NPC1 (0.35) FFAR1FFAR4NPC1HTTRAB9A
SCHEMBL9399914 0.82 CYP1A1 (0.33)
SCHEMBL9213738 0.81 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9203607 0.81 SOST (0.44) RAB9ASMN1; SMN2
SCHEMBL9400171 0.81
SCHEMBL9215513 0.81
SCHEMBL10768145 0.81 SOST (0.32)

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
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 EP claimed
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 EP disclosed