SCHEMBL411280

SCHEMBL411280

O=C(O)CCCCCCCCC#CC#CCCCCCCCCCCCC(=O)O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.80
PTPN7 P35236 5/20 0.73
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL11582046 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL414271 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL11581528 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL410681 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL416646 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL8763744 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL11577850 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL2553133 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL11139452 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2
SCHEMBL411385 1.00 HMGCR (0.80) HMGCRPTPN7LMNAMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8663902-B2 Laser imaging DATALASE LTD (GB) 2014-03-04 US disclosed
EP-2414895-A1 LASER IMAGING DataLase Ltd (GB) 2012-02-08 EP disclosed
US-20120021362-A1 Laser Imaging DATALASE LTD. (GB) 2012-01-26 US disclosed
WO-2010112940-A1 LASER IMAGING DATALASE LTD. (GB) 2010-10-07 WO disclosed
US-7049152-B2 A bolaamphiphilic conjugated bisfunctional polydiacetylene, comprising a diacetylene unit at the center of a hydrophobic core, an anionic head group on one hydrophilic end and an oxy acid on the other hydrophilic end THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-05-23 US disclosed
US-20020137233-A1 A bolaamphiphilic conjugated bisfunctional polydiacetylene, comprising a diacetylene unit at the center of a hydrophobic core, an anionic head group on one hydrophilic end and an oxy acid on the other hydrophilic end U.S. DEPARTMENT OF ENERGY 2002-09-26 US disclosed
US-5137964-A Thermochromic recording material ISP INVESTMENTS INC. (US) 1992-08-11 US disclosed