SCHEMBL686307

SCHEMBL686307

CCCc1cc(C=O)c(C=O)cc1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.35
ERN1 O75460 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SRC P12931 1/20 0.33
HMGCR P04035 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDK1 P06493 1/20 0.31
PRKCI P41743 1/20 0.31
HPGD P15428 1/20 0.31
PRKDC P78527 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL28423423 0.90 SRC (0.41) ALDH1A1LMNAERN1PTPN1PTPN11
SCHEMBL1527129 0.79 HMGCR (0.47) LMNAERN1PTPN1PTPN11TDP1
SCHEMBL17428943 0.78 SRC (0.37) ALDH1A1LMNAERN1PTPN1PTPN11
SCHEMBL28429499 0.76 TYR (0.39) ALDH1A1SRC
SCHEMBL13767877 0.76 PTPN1 (0.41) ALDH1A1ERN1PTPN1PTPN11TDP1
SCHEMBL3133038 0.76 ALDH1A1 (0.41) ALDH1A1LMNAERN1TDP1TSHR
SCHEMBL20113675 0.75 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL547665 0.75 LMNA (0.50) ALDH1A1LMNAERN1TDP1TSHR
SCHEMBL19757928 0.74 HMGCR (0.47) ALDH1A1LMNAERN1PTPN1PTPN11
SCHEMBL9481170 0.74 PRKCI (0.38) ALDH1A1LMNAPTPN11TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724028-B1 METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND ASAHI CHEMICAL IND (JP) 2012-02-29 EP disclosed
US-7595093-B2 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2009-09-29 US disclosed
US-20070184574-A1 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2007-08-09 US disclosed
EP-1724028-A1 THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND, AND METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND Asahi Kasei Kabushiki Kaisha, Ltd. (JP) 2006-11-22 EP disclosed