SCHEMBL9754310

SCHEMBL9754310

C[Si](C)(C)c1ccc2c(c1)C(COCc1ccccc1)c1cc([Si](C)(C)C)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
JAK2 O60674 1/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 2/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
CDC7 O00311 1/20 0.34
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
CCKBR P32239 1/20 0.32

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
SCHEMBL9632441 0.76 TSHR (0.52) TSHRTAAR1JAK2LMNABCHE
SCHEMBL21895152 0.70 TSHR (0.42) TSHRJAK2
SCHEMBL9631598 0.70 HRH3 (0.33) ACHEHRH3
SCHEMBL9632921 0.70 EPHX2 (0.33) ACHE
SCHEMBL9634121 0.69 TSHR (0.47) TSHRTAAR1LMNABCHEACHE
SCHEMBL9754077 0.66 HTR2A (0.53) TSHR
SCHEMBL9632915 0.66 HTR2A (0.41) TSHRTAAR1LMNACCKBR
SCHEMBL24572017 0.65 TSHR (0.61) TSHRTAAR1LMNABCHEACHE
SCHEMBL9679098 0.65 TSHR (0.61) TSHRTAAR1LMNABCHEACHE
SCHEMBL24215035 0.65 TSHR (0.61) TSHRTAAR1LMNABCHEACHE

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
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 WO claimed