SCHEMBL9509519

SCHEMBL9509519

COOc1c(-c2ccccc2)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
PDE4B Q07343 6/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
ABCG2 Q9UNQ0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MITF O75030 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 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
SCHEMBL9760097 0.83 PDE4B (0.53) MAPTHTTLMNAPDE4BPDE4A
SCHEMBL6324941 0.77 PDE4B (0.55) MAPTHTTLMNAPDE4BPDE4A
SCHEMBL9760352 0.74 LMNA (0.46) MAPTHTTLMNAPDE4BPDE4A
SCHEMBL3943393 0.74 MAPT (0.46) MAPTHTTLMNAPDE4BPDE4A
SCHEMBL8640682 0.74 LMNA (0.46) MAPTHTTLMNAPDE4BPDE4A
SCHEMBL10437520 0.74 ALDH1A1 (0.46) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL18392174 0.72 HTT (0.88) MAPTHTTLMNAALDH1A1MEN1
SCHEMBL18677105 0.71 DYRK1A (0.49) CYP3A4CLK4
SCHEMBL9554998 0.71 LTA4H (0.49) MAPTHTTLMNAALDH1A1CYP1A2
SCHEMBL1760851 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396828-B1 UNSYMMETRICAL SQUARAINE COMPOSITIONS AND PHOTOCONDUCTIVE IMAGING MEMBERS USING SUCH COMPOSITIONS XEROX CORPORATION (US) 1993-08-11 EP disclosed
US-5030537-A Photoconductive unsymmetrical squaraine compositions XEROX CORPORATION (US) 1991-07-09 US disclosed
EP-0396828-A1 Unsymmetrical squaraine compositions and photoconductive imaging members using such compositions XEROX CORPORATION (US) 1990-11-14 EP disclosed
US-4922018-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1990-05-01 US disclosed
US-4886722-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1989-12-12 US disclosed