SCHEMBL9326261

SCHEMBL9326261

CC[Si](CC)(CC)c1cc(CCCCCCCCCCCCCNC(=O)CCCC=O)co1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CNR2 P34972 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
EPHX2 P34913 1/20 0.39
CNR1 P21554 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL9839348 0.83 HPGD (0.53) MAPTCNR2MEN1HPGDKMT2A
SCHEMBL9325277 0.73 EPHX2 (0.53) CNR2EPHX2CNR1ALDH1A1HPGD
SCHEMBL9325149 0.71 EPHX1 (0.49) EPHX2ALDH1A1
SCHEMBL9324994 0.70 TRPV1 (0.33) TSHRTRPV1
Bromide SCHEMBL28346796 0.68 CASP2 (0.65) EPHX2CNR1
SCHEMBL9840062 0.68 HTR1A (0.53) LMNATSHRALDH1A1HPGDTRPV1
SCHEMBL19661686 0.68 CASP2 (0.63) MAPTCNR2EPHX2CNR1MEN1
SCHEMBL25933495 0.68 HDAC3 (0.57) GPR119CNR1LMNATSHRALDH1A1
SCHEMBL18683587 0.67 EPHX2 (0.62) EPHX2CNR1
SCHEMBL21970952 0.67 CNR1 (0.65) MAPTCNR2EPHX2CNR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322953-A Antiinflammatory agents; intermediates for 2-furanone compounds ALLERGAN, INC. (US) 1994-06-21 US disclosed
US-5298633-A Silane intermediates ALLERGAN, INC. (US) 1994-03-29 US disclosed
US-5171863-A 2-trialkylsily-4-substituted furan derivatives ALLERGAN, INC. (US) 1992-12-15 US disclosed
US-5082954-A Intermediates and processes for preparing 4-substituted 2-5(H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1992-01-21 US disclosed