SCHEMBL6432630

SCHEMBL6432630

C[Si](C)(Cl)C1CCC=C(C2=CCCCCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ELANE P08246 1/20 0.32
PSMB5 P28074 3/20 0.31
TYMP P19971 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PSMB1 P20618 1/20 0.30
CSF1R P07333 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
SCHEMBL2101945 0.90 ALDH1A1 (0.33) ALDH1A1CYP3A4ELANEPSMB5TYMP
SCHEMBL2270492 0.86 ALDH1A1 (0.34) ALDH1A1CYP3A4ELANEPSMB5TDP1
SCHEMBL2101831 0.86 TYMP (0.32) ALDH1A1CYP3A4ELANETYMPTDP1
SCHEMBL1584751 0.81 NPC1 (0.33) ALDH1A1CYP3A4ELANEPSMB5
SCHEMBL1258428 0.81 NPC1 (0.33) ALDH1A1CYP3A4ELANEPSMB5
SCHEMBL27912770 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4ELANEPSMB5TYMP
SCHEMBL1585575 0.77 JAK2 (0.31)
SCHEMBL2275575 0.77 PSMB5 (0.32) PSMB5
SCHEMBL8776583 0.77 PSMB5 (0.32) PSMB5
SCHEMBL3166128 0.75 JAK2 (0.33) PSMB5CSF1R

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-1241190-B1 Rubber composite GOODYEAR TIRE & RUBBER (US) 2005-01-26 EP claimed