SCHEMBL8754909

SCHEMBL8754909

CCCCC1=C(CCCC)C(c2ccccc2)=C(c2ccccc2)C1=[SiH2]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.39
▸ PTPN1 P18031 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PSMB5 P28074 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33

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
SCHEMBL8755192 0.91 PTPN1 (0.34) HSD11B1PTPN1TSHRGPR84CNR1
SCHEMBL21773302 0.76 HSD11B1 (0.41) HSD11B1PTPN1TSHRGPR84PSMB5
SCHEMBL1817005 0.74 PTGS2 (0.46) PTPN1
SCHEMBL3671032 0.68 PTGS2 (0.44) PTPN1TSHRGPR84
Biphenyl SCHEMBL15347228 0.67 ALDH1A1 (0.56) HSD11B1TSHRGPR84HTTSIGMAR1
Biphenyl SCHEMBL5868585 0.67 ALDH1A1 (0.56) HSD11B1TSHRGPR84
Biphenyl SCHEMBL27954388 0.67 LIPG (0.48) HSD11B1TSHRGPR84ADORA3TLR8
SCHEMBL9158283 0.66 HSD11B1 (0.68) HSD11B1TSHRPSMB5
SCHEMBL402463 0.66 HSD11B1 (0.68) HSD11B1TSHRPSMB5
SCHEMBL5921512 0.66 HSD11B1 (0.38) HSD11B1TSHRGPR84CNR1CNR2

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
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 — — EP disclosed
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