SCHEMBL9915250

SCHEMBL9915250

CCC(C)c1ccc(S(=O)(=O)c2ccc(OC(C)(C)CC)c(C)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL12807625 0.74 RORC (0.39) CASP1
SCHEMBL20885032 0.71 CA2 (0.42) ALDH1A1TSHR
SCHEMBL12807706 0.71 HSD11B1 (0.31) CASP1
SCHEMBL9915248 0.69 ALDH1A1 (0.42) CASP1ALDH1A1NPSR1TSHRKMT2A
SCHEMBL21250509 0.68 VDR (0.34) KMT2AKDM4E
SCHEMBL22243914 0.67 SCN5A (0.38) ALDH1A1TSHRMAPK1POLBKMT2A
SCHEMBL12807628 0.67 CASP1 (0.31) CASP1
SCHEMBL15341309 0.66 VDR (0.36) KDM4E
SCHEMBL16379411 0.66 ALDH1A1 (0.40) ALDH1A1TSHRKMT2ASMN1; SMN2LMNA
SCHEMBL16281943 0.65 POLB (0.41) HTTALDH1A1NPSR1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198205-B2 Aromatic block copolymer, decomposition method thereof and analysis method using the decomposition method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-12 — — US disclosed
US-20090197763-A1 Aromatic block copolymer, decomposition method thereof and analysis method using the decomposition method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-06 — — US disclosed
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