SCHEMBL5080424

SCHEMBL5080424

CC1=Cc2c(-c3ccccc3)cccc2C1c1ccc([SiH2]c2ccc(C3C(C)=Cc4c(-c5ccccc5)cccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
USP30 Q70CQ3 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL5078341 0.85
SCHEMBL5140905 0.82 CA12 (0.36) ALDH1A1
SCHEMBL5982062 0.82 USP7 (0.30) PDCD1CD274
SCHEMBL22418862 0.79 CHRNB2 (0.36) ALDH1A1HSD17B10CHRNB2CHRNA4PDCD1
SCHEMBL6544268 0.75 PDCD1 (0.36) ALDH1A1HSD17B10CHRNB2CHRNA4PDCD1
SCHEMBL28550963 0.75 PDCD1 (0.36) ALDH1A1HSD17B10CHRNB2CHRNA4PDCD1
Bromide SCHEMBL27463822 0.74 PDCD1 (0.35) ALDH1A1HSD17B10CHRNB2CHRNA4PDCD1
Iodide SCHEMBL27476829 0.74 PDCD1 (0.35) ALDH1A1HSD17B10CHRNB2CHRNA4PDCD1
Hydrochloric Acid SCHEMBL4060090 0.74 PDCD1 (0.35) ALDH1A1HSD17B10CHRNB2CHRNA4PDCD1
SCHEMBL7054633 0.74 PDCD1 (0.32) CHRNB2CHRNA4PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954724-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS ExxonMobil Chemical Patents Inc. (US) 2008-08-13 EP disclosed
WO-2007061525-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-31 WO disclosed
EP-0924322-A1 Conjugate fibers and non-woven fabrics therefrom Mitsui Chemicals, Inc. (JP) 1999-06-23 EP disclosed