SCHEMBL5015462

SCHEMBL5015462

C=C(C)C(=O)OC(C)SCc1ccccc1CSC(C)OC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 4/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 2/20 0.30
HTT P42858 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
SCHEMBL1093413 0.86 L3MBTL1 (0.42) TSHRELANESMN1; SMN2LMNAATM
SCHEMBL5014108 0.84 EPHX1 (0.41) TSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL3138274 0.80 EPHX1 (0.38) TSHRSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL3128717 0.80 TSHR (0.35) TSHR
SCHEMBL671675 0.76 TSHR (0.45) TSHRALDH1A1
SCHEMBL1695697 0.74 TSHR (0.44) TSHRALDH1A1
SCHEMBL2392777 0.74 ELANE (0.41) ELANESMN1; SMN2MAPTLMNAXBP1
SCHEMBL10427162 0.73 TSHR (0.42) TSHRALDH1A1
SCHEMBL10427135 0.73 TSHR (0.42) TSHRALDH1A1
SCHEMBL673042 0.71 TSHR (0.41) TSHRALDH1A1

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