SCHEMBL4557578

SCHEMBL4557578

CCC(C)(O)C(C)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL4557609 0.83 TSHR (0.47) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL8376908 0.76 TSHR (0.47) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL586262 0.75 TSHR (0.51) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL6795874 0.75 SMN1; SMN2 (0.45) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL27644145 0.72 TSHR (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
Hydrogen Peroxide SCHEMBL9581085 0.72 TSHR (0.55) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL12238613 0.72 TRPA1 (0.43) TSHRHTTKMT2ATRPA1POLB
SCHEMBL6188287 0.71 TSHR (0.47) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL6569934 0.71 TSHR (0.59) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL28924915 0.70 TRPA1 (0.50) SMN1; SMN2OPRK1TRPA1ALDH1A1

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