SCHEMBL5015459

SCHEMBL5015459

C=C(C)C(=O)OC(SCC)c1ccccc1C(OC(=O)C(=C)C)SCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
ELANE P08246 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
CYSLTR2 Q9NS75 3/20 0.31
CYSLTR1 Q9Y271 3/20 0.31
HPGD P15428 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5014107 0.85 TSHR (0.35) ELANEALDH1A1TSHRTHRB
SCHEMBL3138262 0.81 ACACB (0.36) ALDH1A1TSHRTHRB
SCHEMBL3128707 0.80 TSHR (0.32) TSHRTHRB
SCHEMBL10427438 0.72 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL22555500 0.71 CASP1 (0.40) CASP1ELANEALDH1A1MAPTNPC1
SCHEMBL1695697 0.71 TSHR (0.44) ALDH1A1TSHRTHRB
SCHEMBL5015462 0.69 TSHR (0.36) ELANEALDH1A1MAPTTSHRHPGD
SCHEMBL21768706 0.68 HPGD (0.46) ELANEALDH1A1MAPTCYP3A4HPGD
SCHEMBL28119927 0.68 TSHR (0.37) ALDH1A1TSHRTHRB
SCHEMBL1372183 0.68 HPGD (0.42) ELANEALDH1A1MAPTCYP3A4HPGD

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-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed