SCHEMBL4449462

SCHEMBL4449462

CCCCOC(=O)C1=C(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ESR1 P03372 7/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL9863146 0.93 TSHR (0.46) TSHRTDP1L3MBTL1ESR1MAPK1
SCHEMBL11564363 0.92 TSHR (0.55) TSHRTDP1L3MBTL1ESR1MAPK1
SCHEMBL5607518 0.89 LMNA (0.48) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL28077230 0.86 TSHR (0.49) TSHRESR1MAPK1LMNAALDH1A1
SCHEMBL11217540 0.85 ALDH1A1 (0.41) TSHRTDP1L3MBTL1ESR1MAPK1
SCHEMBL234625 0.85 TSHR (0.52) TSHRTDP1L3MBTL1ESR1MAPK1
SCHEMBL28347013 0.81 LMNA (0.46) TSHRTDP1ESR1LMNASMN1; SMN2
SCHEMBL9299135 0.81 TSHR (0.49) TSHRTDP1L3MBTL1ESR1MAPK1
SCHEMBL433386 0.80 KDM4E (0.52) TSHRESR1LMNACYP2C19SMN1; SMN2
SCHEMBL17744749 0.80 TSHR (0.53) TSHRESR1MAPK1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120279605-A1 POLYAMIDE COMPOSITIONS FOR THE INNER LAYER OF A MULTI-LAYER TUBULAR ARTICLE AND ARTICLES INCORPORATING SAME E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-08 US disclosed
EP-1625179-B1 ARTICLES MADE FROM POLYAMIDE RESIN COMPOSITIONS AND HAVING IMPROVED FLUID PERMEATION BARRIER PROPERTIES DU PONT (US) 2009-04-22 EP disclosed
US-20070105984-A1 Composition comprising cellulose and polyvinyl chloride polymer E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-10 US disclosed
EP-1625179-A1 ARTICLES MADE FROM POLYAMIDE RESIN COMPOSITIONS AND HAVING IMPROVED FLUID PERMEATION BARRIER PROPERTIES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-02-15 EP disclosed
US-20050069662-A1 Articles made from polyamide resin compositions and having improved fluid permeation barrier properties E. I. DU PONT DE NEMOURS AND COMPANY 2005-03-31 US disclosed
EP-0901507-B2 AROMATIC POLYAMIDE RESIN COMPOSITION HAVING EXCELLENT BALANCE OF TOUGHNESS AND STIFFNESS DU PONT (US) 2005-02-23 EP disclosed
WO-2004104102-A1 ARTICLES MADE FROM POLYAMIDE RESIN COMPOSITIONS AND HAVING IMPROVED FLUID PERMEATION BARRIER PROPERTIES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-02 WO disclosed
US-20040116579-A1 Aromatic polyamide resin composition having excellent balance of toughness and stiffness NOZAKI MASAHIRO (JP) 2004-06-17 US disclosed
EP-0901507-B1 AROMATIC POLYAMIDE RESIN COMPOSITION HAVING EXCELLENT BALANCE OF TOUGHNESS AND STIFFNESS DU PONT (US) 2001-07-18 EP disclosed
US-20010003766-A1 AROMATIC POLYAMIDE RESIN COMPOSITION HAVING EXCELLENT BALANCE OF TOUGHNESS AND STIFFNESS E.I. DU PONT DE NEMOURS AND COMPANY 2001-06-14 US disclosed
EP-0901507-A1 AROMATIC POLYAMIDE RESIN COMPOSITION HAVING EXCELLENT BALANCE OF TOUGHNESS AND STIFFNESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 EP disclosed
WO-1997044395-A1 AROMATIC POLYAMIDE RESIN COMPOSITION HAVING EXCELLENT BALANCE OF TOUGHNESS AND STIFFNESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-27 WO disclosed