SCHEMBL16736986

SCHEMBL16736986

CCOP(=O)(Cc1cc(CCC(C)(C)C)c(O)c(CCC(C)(C)C)c1)OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 4/20 0.38
▸ EGFR P00533 2/20 0.37
▸ NR1I2 O75469 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 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
SCHEMBL191427 0.82 EGFR (0.38) HMGCREGFRMAPTHTTPOLB
SCHEMBL10984606 0.77 HMGCR (0.40) HMGCREGFRNR1I2MAPTHTT
SCHEMBL39364 0.76 HMGCR (0.62) HMGCRNR1I2MAPTHTTPOLB
SCHEMBL5428580 0.75 HMGCR (0.61) HMGCRNR1I2MAPTHTTPOLB
SCHEMBL562987 0.75 HMGCR (0.61) HMGCRNR1I2MAPTHTTPOLB
SCHEMBL10990560 0.75 DHFR (0.37) HMGCREGFRMEN1KMT2AGABRA1
SCHEMBL564169 0.75 HMGCR (0.61) HMGCRNR1I2MAPTHTTPOLB
SCHEMBL28615117 0.75 HMGCR (0.61) HMGCRNR1I2MAPTHTTPOLB
SCHEMBL13913134 0.74 TSHR (0.50) EGFRMAPTHTTPOLBPPARD
SCHEMBL3803725 0.74 HMGCR (0.49) HMGCREGFRNR1I2MAPTHTT

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
US-9117985-B2 Silicone resin composition and an optical semiconductor device SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-25 — — US disclosed
US-20150144987-A1 SILICONE RESIN COMPOSITION AND AN OPTICAL SEMICONDUCTOR DEVICE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-05-28 — — US disclosed
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