SCHEMBL28999958

SCHEMBL28999958

COc1ccc(CCCO[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP11B1 P15538 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL30362904 1.00 DUT (0.36) DUTCYP4F2CYP4A11CASP3SENP8
SCHEMBL23540665 0.84 DUT (0.37) DUTCYP4F2CYP4A11CASP3SENP8
SCHEMBL20037740 0.81 DUT (0.37) DUT
SCHEMBL8662578 0.81 DUT (0.37) DUTCYP4F2CYP4A11CASP3SENP8
SCHEMBL25296019 0.80 CASP3 (0.41) CASP3SENP8SENP7SENP6KDM1A
SCHEMBL20255383 0.77 DUT (0.36) DUTCASP3SENP8SENP7SENP6
SCHEMBL30663146 0.76 MBOAT4 (0.38) DUTCYP4F2CYP4A11
SCHEMBL14183641 0.75 KCNH2 (0.42) DUTCYP2A6
SCHEMBL30670156 0.75 DUT (0.35) DUTCASP3SENP8SENP7SENP6
SCHEMBL26636791 0.75 ALDH1A1 (0.38) DUTCYP4F2CYP4A11

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
CN-116075512-A Heterocyclic compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-05-05 CN disclosed