SCHEMBL1742470

SCHEMBL1742470

[N-]=[N+]=CC(=O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 3/20 0.33
EPHX1 P07099 5/20 0.32
SRD5A2 P31213 1/20 0.32
RECQL P46063 1/20 0.32
HSD11B2 P80365 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 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
SCHEMBL21805094 0.80 PLG (0.39) TSHRNPC1RAB9A
SCHEMBL16095403 0.78
SCHEMBL9448838 0.76 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11086822 0.74 ROCK2 (0.36) ALDH1A1
SCHEMBL20501606 0.74 TP53 (0.40) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11075590 0.74 ROCK2 (0.36) ALDH1A1
SCHEMBL16636341 0.72 PEPD (0.37) ALDH1A1SMN1; SMN2
SCHEMBL21834026 0.71 FFAR3 (0.43) TSHR
SCHEMBL21834027 0.71 FFAR3 (0.43) TSHR
SCHEMBL9449182 0.71 CES2 (0.42) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326744-B1 METAL COMPOSITIONS AND METHODS OF MAKING SAME PRYOG LLC (US) 2022-06-01 EP claimed
CN-110857281-B N-bis-benzenesulfonyl-1-phenylseleno trifluoroethane derivative and synthetic method and application thereof 华东师范大学 2021-10-15 CN disclosed
CN-110857281-A N-bis-benzenesulfonyl-1-phenylseleno trifluoroethane derivative and synthetic method and application thereof 华东师范大学 2020-03-03 CN disclosed
EP-2387735-A1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FujiFilm Electronic Materials USA, Inc. (US) 2011-11-23 EP disclosed
US-8037621-B2 Article of footwear including a woven strap system NIKE, INC. (US) 2011-10-18 US disclosed
WO-2010083350-A1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-07-22 WO disclosed
EP-1558654-A4 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF FUJIFILM ELECTRONIC MATERIALS (US) 2006-04-05 EP disclosed
EP-1558654-A2 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF Fujifilm Electronic Materials USA, Inc. (US) 2005-08-03 EP disclosed
WO-2004040371-A2 NOVEL COPOLYMER AND PHOTORESIST COMPOSITIONS THEREOF ARCH SPECIALTY CHEMICALS, INC. (US) 2004-05-13 WO disclosed
EP-0466730-B1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1993-07-21 EP disclosed
US-5220021-A Geminal bisphosphonic acids and derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1993-06-15 US disclosed
EP-0466730-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS. UPJOHN CO (US) 1992-01-22 EP disclosed
WO-1990012017-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1990-10-18 WO disclosed