SCHEMBL3478460

SCHEMBL3478460

CCC(=O)OCCCC([O])=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
DGKA P23743 1/20 0.43
HTT P42858 1/20 0.43
DNM1 Q05193 1/20 0.40
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
FAAH O00519 1/20 0.36
BLM P54132 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2355681 0.86 NAAA (0.52) NAAADGKAHTTDNM1ALDH1A1
SCHEMBL50185 0.83 NAAA (0.81) NAAADGKAHTTDNM1HTR2C
SCHEMBL2600809 0.83 NAAA (0.73) NAAADGKAHTTDNM1HTR2C
SCHEMBL11257090 0.83 DGKA (0.61) NAAADGKADNM1HTR2CALDH1A1
SCHEMBL14163783 0.82 NAAA (0.59) NAAADGKAHTTDNM1HTR2C
SCHEMBL15305232 0.82 NAAA (0.59) NAAADGKAHTTDNM1HTR2C
SCHEMBL727436 0.82 NAAA (0.59) NAAAHTTALDH1A1
SCHEMBL28312766 0.81 NAAA (0.64) NAAADGKAHTTDNM1HTR2C
SCHEMBL3993048 0.80 NAAA (0.86) NAAADGKAHTTDNM1HTR2C
SCHEMBL12956536 0.80 NAAA (0.86) NAAADGKAHTTDNM1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015197860-A2 NOVEL THAPSIGARGIN ANALOGUES AND METHODS OF PREPARING THEM UNIVERSITY OF COPENHAGEN (DK) 2015-12-30 WO claimed
EP-0296749-A1 (Substituted aralkyl) heterocyclic compounds ZENECA LIMITED (GB) 1988-12-28 EP claimed
EP-2396355-B1 COPOLYMERS FOR INTRAOCULAR LENS SYSTEMS VISIOGEN INC (US) 2018-05-23 EP disclosed
US-8680172-B2 Copolymers for intraocular lens systems VISIOGEN, INC. (US) 2014-03-25 US disclosed
US-20130245756-A1 COPOLYMERS FOR INTRAOCULAR LENS SYSTEMS LILLY MING INTERNATIONAL, INC. 2013-09-19 US disclosed
US-8430928-B2 Copolymers for intraocular lens systems VISIOGEN, INC. (US) 2013-04-30 US disclosed
WO-2013036567-A2 METHODS, COMPOSITIONS, AND COMPOUNDS FOR THE REDUCTION OF ILLEGAL METHAMPHETAMINE PRODUCTION JOHNSON BRENT A (US) 2013-03-14 WO disclosed
US-20120245684-A1 COPOLYMERS FOR INTRAOCULAR LENS SYSTEMS VISIOGEN, INC. (US) 2012-09-27 US disclosed
US-8222360-B2 Copolymers for intraocular lens systems VISIOGEN, INC. (US) 2012-07-17 US disclosed
US-20100211170-A1 COPOLYMERS FOR INTRAOCULAR LENS SYSTEMS VISIOGEN, INC. (US) 2010-08-19 US disclosed
WO-2010093823-A2 COPOLYMERS FOR INTRAOCULAR LENS SYSTEMS VISIOGEN, INC. (US) 2010-08-19 WO disclosed
EP-0650496-B1 ANTI-INFLAMMATORY COMPOUNDS FOR OPHTHALMIC USE ALCON LAB INC (US) 1998-09-16 EP disclosed
EP-0768358-A1 Liquid-crystalline medium MERCK PATENT GmbH (DE) 1997-04-16 EP disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed
US-4261986-A ANTIINFLAMMATORY STEROIDS SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0004772-A2 4-Halo etianic acids and derivatives thereof, their pharmaceutical use and preparation SYNTEX (U.S.A.) INC. (US) 1979-10-17 EP disclosed
US-4152149-A Composite material comprising reinforced aluminum or aluminum-base alloy SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1979-05-01 US disclosed