SCHEMBL2138557

SCHEMBL2138557

CCCC1(CCC)NC(=O)NC1=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.46
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRB3 P28472 1/20 0.35
OPRD1 P41143 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6695687 0.92 PDE7A (0.41) PDE7ALMNATDP1MMP2MMP3
SCHEMBL6699900 0.91 PDE7A (0.44) PDE7ALMNAALDH1A1KDM4ECYP3A4
SCHEMBL4619910 0.87 PDE7A (0.41) PDE7ALMNAALDH1A1KDM4ECYP3A4
SCHEMBL23366852 0.87 PDE7A (0.41) PDE7ALMNAALDH1A1KDM4ECYP3A4
SCHEMBL6331007 0.86 TDP1 (0.40) PDE7ALMNATDP1MMP2MMP3
Hydrochloric Acid SCHEMBL29979522 0.86 PDE7A (0.41) PDE7ALMNAALDH1A1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL23354355 0.86 PDE7A (0.41) PDE7ALMNAALDH1A1KDM4ECYP3A4
SCHEMBL221916 0.85 MMP2 (0.45) LMNATDP1MMP2MMP3MMP9
SCHEMBL6692728 0.84 PDE7A (0.40) PDE7ALMNAALDH1A1KDM4ECYP3A4
SCHEMBL11484713 0.83 MMP2 (0.47) TDP1MMP2MMP3MMP9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534774-A1 5,5-Dialkyl hydantoins for promoted acid gas scrubbing processes EXXON CHEMICAL PATENTS INC. (US) 1993-03-31 EP claimed
US-7863264-B2 Stabilised compositions having antibacterial activity COLOPLAST A/S (DK) 2011-01-04 US disclosed
EP-1322168-B1 STABILISED COMPOSITIONS HAVING ANTIBACTERIAL ACTIVITY COLOPLAST AS (DK) 2004-11-24 EP disclosed
US-20040200780-A1 Methods and systems for uniform control of bromine concentrations in water HOWARTH JONATHAN N (US) 2004-10-14 US disclosed
US-6749758-B2 Methods and systems for uniform-control of bromine concentrations in water ALBEMARLE CORPORATION 2004-06-15 US disclosed
CN-1466419-A Stable compositions with antibacterial activity ���Ͽع����޹�˾ 2004-01-07 CN disclosed
US-20030186955-A1 Stabilised compositions having and antibacterial activity COLOPLAST A/S (DK) 2003-10-02 US disclosed
EP-1322168-A1 STABILISED COMPOSITIONS HAVING ANTIBACTERIAL ACTIVITY COLOPLAST A/S (DK) 2003-07-02 EP disclosed
WO-2003047345-A2 METHOD FOR UNIFORM CONTROL OF BROMINE CONCENTRATIONS IN BIOCIDAL WATER ALBEMARLE CORPORATION (US) 2003-06-12 WO disclosed
US-20030102271-A1 Methods and systems for uniform control of bromine concentrations in water ALBEMARLE CORPORATION 2003-06-05 US disclosed
WO-2002026039-A1 STABILISED COMPOSITIONS HAVING ANTIBACTERIAL ACTIVITY COLOPLAST A/S (DK) 2002-04-04 WO disclosed
EP-0534774-A1 5,5-Dialkyl hydantoins for promoted acid gas scrubbing processes EXXON CHEMICAL PATENTS INC. (US) 1993-03-31 EP disclosed
US-4472306-A N-HALOGEN SUBSTITUTED ORGANIC PROMOTOR TEXACO INC. (US) 1984-09-18 US disclosed
US-4332953-A FOR PREPARING URETHANE FOAMS AND ELASTOMERS BASF WYANDOTTE CORPORATION (US) 1982-06-01 US disclosed
US-4331809-A INTERMEDIATES FOR PREPARING POLYURETHANE FOAMS AND ELASTOMERS BASF WYANDOTTE CORPORATION (US) 1982-05-25 US disclosed
US-4331810-A Carbamylbiuret-modified polyisocyanates BASF WYANDOTTE CORPORATION (US) 1982-05-25 US disclosed
US-4330636-A Carbamylbiuret-modified polyisocyanates BASF WYANDOTTE CORPORATION (US) 1982-05-18 US disclosed
US-4271087-A WHICH CAN ALSO CONTAIN GUANIDINE LINKAGES AND THIOUREA LINKAGES BASF WYANDOTTE CORPORATION (US) 1981-06-02 US disclosed