SCHEMBL21462885

SCHEMBL21462885

C=C(C)C(=O)O[SiH2]CCCCCC.CC(C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.33
FAAH O00519 2/20 0.33
THRA P10827 1/20 0.33
MAPT P10636 1/20 0.33
CES2 O00748 2/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 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
SCHEMBL9618502 0.92 TSHR (0.52) TSHRALDH1A1THRBFAAHTHRA
SCHEMBL6255191 0.86 TSHR (0.48) TSHRALDH1A1THRBTHRACES2
SCHEMBL5838126 0.83 TSHR (0.36) TSHRALDH1A1
SCHEMBL252652 0.79 ALDH1A1 (0.46) TSHRALDH1A1THRB
SCHEMBL21463008 0.77 TSHR (0.43) TSHRALDH1A1LMNATHRBFAAH
SCHEMBL21462920 0.77 LMNA (0.35) TSHRLMNATHRBFAAHMAPT
SCHEMBL2353936 0.75 ALDH1A1 (0.41) TSHRALDH1A1FAAHCES2MEN1
SCHEMBL1408892 0.75 ALDH1A1 (0.41) TSHRALDH1A1FAAHCES2MEN1
SCHEMBL2353709 0.75 ALDH1A1 (0.41) TSHRALDH1A1FAAHCES2MEN1
SCHEMBL7057742 0.74 MAPT (0.41) ALDH1A1LMNAFAAHMAPTCES2

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-2019198676-A1 ANTIFOULING COATING COMPOSITION 日東化成株式会社 2019-10-17 WO disclosed