SCHEMBL4357593

SCHEMBL4357593

C1=CC(Cc2ccccc2)C=CC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.45
GBA1 P04062 1/20 0.43
TSHR P16473 3/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4623291 0.89 CALM1 (0.41) CALM1GBA1TSHRIDO1TP53
SCHEMBL5794073 0.87 CALM1 (0.39) CALM1GBA1TSHRIDO1TP53
SCHEMBL4361398 0.83 GBA1 (0.41) CALM1GBA1
SCHEMBL6002826 0.81 CALM1 (0.39) CALM1GBA1TSHRIDO1TP53
SCHEMBL13761011 0.73 TP53 (0.39) GBA1TP53
SCHEMBL1200483 0.69 GBA1 (0.42) CALM1GBA1ALDH1A1
SCHEMBL2027845 0.69 GBA1 (0.71) GBA1ALDH1A1
SCHEMBL13889210 0.69 GBA1 (0.46) CALM1GBA1TSHR
SCHEMBL6432088 0.69 SLC6A2 (0.44) CALM1GBA1TSHRIDO1TP53
SCHEMBL19809006 0.69 CALM1 (0.43) CALM1GBA1TSHRIDO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed