SCHEMBL9809602

SCHEMBL9809602

CCCCCOc1c(OCCCCC)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.44
THRB P10828 4/20 0.44
NR5A1 Q13285 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
PLA2G2A P14555 1/20 0.41
LTA4H P09960 2/20 0.41
PLA2G4B P0C869 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL26278001 0.98 THRA (0.46) THRATHRBNR5A1GPR84LPAR3
SCHEMBL6658770 0.98 THRA (0.46) THRATHRBNR5A1GPR84LPAR3
SCHEMBL9809623 0.98 THRA (0.46) THRATHRBNR5A1GPR84LPAR3
SCHEMBL26278000 0.98 THRA (0.46) THRATHRBNR5A1GPR84LPAR3
SCHEMBL9809630 0.98 THRA (0.46) THRATHRBNR5A1GPR84LPAR3
SCHEMBL9809613 0.98 THRA (0.46) THRATHRBNR5A1GPR84LPAR3
Squaric Acid Dibutyl Ester SCHEMBL56180 0.92 CYP3A4 (0.44) THRATHRBNR5A1TP53TSHR
SCHEMBL2550628 0.85 NR5A1 (0.44) THRATHRBNR5A1GPR84LPAR3
SCHEMBL4140379 0.84 NR5A1 (0.48) THRATHRBNR5A1GPR84LPAR3
SCHEMBL5571442 0.83 NR5A1 (0.47) THRATHRBNR5A1GPR84LPAR3

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-4585895-A Processes for the preparation of mixed squaraine compositions XEROX CORPORATION (US) 1986-04-29 US claimed
US-4525592-A Process for squaraine compositions XEROX CORPORATION (US) 1985-06-25 US claimed
US-4092146-A POSTEMERGENCE HERBICIDES, PLANT GROWTH INHIBITORS, DESSICANTS, ETHERS OF CYCLOBUTENEDIONE CIBA-GEIGY CORPORATION (US) 1978-05-30 US claimed
JP-3206068-A None JP disclosed
JP-H03206068-A CYCLOBUTENE-1,2-DIONE DERIVATIVE IKEDA MOHANDOU:KK 1991-09-09 JP disclosed
EP-0145400-B1 PHOTOCONDUCTIVE DEVICES CONTAINING NOVEL SQUARAINE COMPOUNDS XEROX CORPORATION (US) 1991-05-29 EP disclosed
US-4746756-A Photoconductive imaging members with novel fluorinated squaraine compounds XEROX CORPORATION (US) 1988-05-24 US disclosed
US-4621038-A Photoconductive imaging members with novel symmetrical fluorinated squaraine compounds XEROX CORPORATION (US) 1986-11-04 US disclosed
US-4585895-A Processes for the preparation of mixed squaraine compositions XEROX CORPORATION (US) 1986-04-29 US disclosed
US-4525592-A Process for squaraine compositions XEROX CORPORATION (US) 1985-06-25 US disclosed
EP-0145400-A2 Photoconductive devices containing novel squaraine compounds XEROX CORPORATION (US) 1985-06-19 EP disclosed
US-4486520-A Photoconductive devices containing novel squaraine compositions XEROX CORPORATION (US) 1984-12-04 US disclosed