SCHEMBL9446012

SCHEMBL9446012

CCOP(=O)(CC=CCBr)OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
PPARD Q03181 2/20 0.40
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL16681891 0.89 TSHR (0.57) TSHRPPARDTDP1TP53MEN1
SCHEMBL1679770 0.89 TSHR (0.57) TSHRPPARDTDP1TP53MEN1
SCHEMBL1679837 0.89 TSHR (0.57) TSHRPPARDTDP1TP53MEN1
SCHEMBL14457806 0.83 TSHR (0.43) TSHRPPARDTDP1TP53MEN1
SCHEMBL11443334 0.80 TSHR (0.48) TSHRPPARDTDP1TP53MEN1
SCHEMBL874362 0.80 TSHR (0.48) TSHRPPARDTDP1TP53MEN1
SCHEMBL9208492 0.78 TSHR (0.46) TSHRPPARDTDP1TP53MEN1
SCHEMBL9208480 0.78 TSHR (0.46) TSHRPPARDTDP1TP53MEN1
SCHEMBL4609885 0.77 TSHR (0.50) TSHRPPARDTDP1TP53MEN1
SCHEMBL20490115 0.77 TSHR (0.50) TSHRPPARDTDP1TP53MEN1

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
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 US disclosed