SCHEMBL9469719

SCHEMBL9469719

C[Si]1(C)CCC(c2cccc(N)c2)(c2cccc(N)c2)O[Si]1(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
NPY1R P25929 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL954071 0.80 ALDH1A1 (0.37) CYP3A4ALDH1A1
SCHEMBL1552116 0.80 OPRM1 (0.36) OPRM1OPRK1
SCHEMBL8783202 0.78 CA12 (0.30)
SCHEMBL6853213 0.76 ALDH1A1 (0.36) RECQLALDH1A1
SCHEMBL10719494 0.75 CYP2D6 (0.32) CYP3A4
SCHEMBL8916645 0.70 TAAR1 (0.33)
SCHEMBL9327410 0.70 OPRM1 (0.32) CYP3A4CASP1RECQLOPRM1OPRK1
SCHEMBL10594549 0.68 CYP3A4 (0.38) CYP3A4ALDH1A1
SCHEMBL10664539 0.68 OPRD1 (0.32) OPRM1OPRK1
SCHEMBL18126 0.67 HSD11B1 (0.36) OPRM1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34431-E Macrocyclic oligomers containing spiro(bis)indane moieties GENERAL ELECTRIC COMPANY (US) 1993-11-02 US disclosed
EP-0326706-B1 SPIRO(BIS)INDANE BIS-OXYPHTHALIC ACIDS AND FUNCTIONAL DERIVATIVES THEREOF GENERAL ELECTRIC COMPANY (US) 1992-03-11 EP disclosed
US-4980453-A CONVERTED TO LINEAR POLYMERS GENERAL ELECTRIC COMPANY (US) 1990-12-25 US disclosed
US-4950727-A Spiro(bis)indane polyamide and polyimide copolysiloxanes and method of preparation GENERAL ELECTRIC COMPANY (US) 1990-08-21 US disclosed
US-4864034-A Spiro(bis)indane bis-oxyphthalic acids and functional derivatives thereof GENERAL ELECTRIC COMPANY (US) 1989-09-05 US disclosed
WO-1988006605-A1 MACROCYCLIC OLIGOMERS CONTAINING SPIRO(BIS)INDANE MOIETIES GENERAL ELECTRIC COMPANY (US) 1988-09-07 WO disclosed