SCHEMBL5706352

SCHEMBL5706352

C[SiH](C)C#Cc1cccc(NCC2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.37
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CRHR1 P34998 2/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
PTGES O14684 1/20 0.35
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
TSHR P16473 1/20 0.33
IDH1 O75874 1/20 0.33
POLB P06746 1/20 0.33
USP30 Q70CQ3 1/20 0.32
VNN1 O95497 1/20 0.32
PRKCQ Q04759 1/20 0.32
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL4508226 0.80 HAO1 (0.37) HAO1CARM1PRMT6CRHR1ACHE
SCHEMBL5706341 0.78 PTGES (0.44) HAO1PTGESKMT2AACACB
SCHEMBL15576247 0.75 TSHR (0.41) HAO1CARM1PRMT6ACHEBACE1
SCHEMBL3130734 0.72 TSHR (0.41) HAO1KMT2ATSHR
SCHEMBL25823674 0.70 TSHR (0.40) HAO1KMT2ATSHR
SCHEMBL4513973 0.69 FFAR1 (0.56) HAO1CRHR1PTGESKMT2AACACB
SCHEMBL1419784 0.68 PRKCQ (0.48) CARM1PRMT6CRHR1KMT2APOLB
SCHEMBL632625 0.68 POLB (0.60) CRHR1KMT2ATSHRPOLBPRKCQ
SCHEMBL4369018 0.68 CRHR1 (0.52) CRHR1KMT2A
SCHEMBL25547612 0.68 CRHR1 (0.41) CARM1PRMT6CRHR1ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed