SCHEMBL4727635

SCHEMBL4727635

Oc1cccc2ccc(C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.53
CYP1A2 P05177 1/20 0.48
TRPV1 Q8NER1 4/20 0.47
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
PTPRC P08575 1/20 0.44
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.41
GRIN2D O15399 1/20 0.41

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
SCHEMBL8222699 0.85 HSD17B1 (0.58) CYP1A2HSD17B1HSD17B2KDM4EMEN1
SCHEMBL10594812 0.82 CTDSP1 (0.44) CTDSP1CYP1A2TRPV1HSD17B1HSD17B2
SCHEMBL2054647 0.81 CTDSP1 (0.53) CTDSP1CYP1A2HSD17B2MEN1GAA
SCHEMBL10408737 0.78 ALDH1A1 (0.56) CYP1A2PTPRCMAPTHPGDKIF11
SCHEMBL23206122 0.77 CYP1A2 (0.57) CYP1A2TRPV1PTPRCMEN1GAA
SCHEMBL4078183 0.77 F2 (0.49) TRPV1PTPRCKDM4EMEN1GAA
SCHEMBL18243149 0.77 PTPRC (0.44) CYP1A2TRPV1PTPRCKDM4EKIF11
SCHEMBL29952666 0.77 MGLL (0.49) TRPV1PTPRCKIF11CES2MGLL
SCHEMBL13554525 0.75 CTDSP1 (0.47) CTDSP1CYP1A2TRPV1HSD17B1HSD17B2
SCHEMBL12310592 0.74 KIF11 (0.44) KDM4EMAPTKIF11

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-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed