SCHEMBL28040416

SCHEMBL28040416

CCCCc1ccc([Si]([C]2C(C)=Cc3ccccc32)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
PSMB5 P28074 1/20 0.36
CNR2 P34972 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR3 P46089 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SKP2 Q13309 1/20 0.33
BRS3 P32247 1/20 0.32
PTPN1 P18031 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL28040821 0.83 GPR3 (0.39) HSD11B1GPR3PTPN1
SCHEMBL27953352 0.81 HSD11B1 (0.44) HSD11B1PSMB5CA2CA1TRPV1
SCHEMBL28040845 0.78 LMNA (0.32) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL27942530 0.76 CA2 (0.42) HSD11B1CA2CA1ALDH1A1HPGD
SCHEMBL28040770 0.75 PTAFR (0.33) ALDH1A1SMN1; SMN2
SCHEMBL27953350 0.74 HSD11B1 (0.39) HSD11B1PSMB5CNR2CA2CA1
SCHEMBL28040823 0.69 LOXL2 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL27942528 0.69 HSD11B1 (0.39) HSD11B1CA2CA1ALDH1A1HPGD
SCHEMBL10317156 0.69 HSD11B1 (0.43) HSD11B1PSMB5CNR2CA2CA1
SCHEMBL10319997 0.69 HSD11B1 (0.43) HSD11B1PSMB5CNR2CA2CA1

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-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed