SCHEMBL4557609

SCHEMBL4557609

CC(CCc1ccccc1)C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
OPRK1 P41145 1/20 0.44
TRPA1 O75762 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ANPEP P15144 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
ERAP2 Q6P179 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4557578 0.83 TSHR (0.44) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL8376908 0.80 TSHR (0.47) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL586262 0.79 TSHR (0.51) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL28216354 0.79 TAAR1 (0.50) OPRK1TRPA1KDM4ENPC1RAB9A
Ammonia Solution, Strong SCHEMBL27504264 0.78 TRPA1 (0.48) OPRK1TRPA1KDM4ENPC1RAB9A
SCHEMBL27644145 0.77 TSHR (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
Hydrogen Peroxide SCHEMBL9581085 0.76 TSHR (0.55) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL6188287 0.75 TSHR (0.47) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL109557 0.74 TSHR (0.53) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL2942774 0.74 TSHR (0.53) TSHRSMN1; SMN2MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed