SCHEMBL9851465

SCHEMBL9851465

CCCCCCCCCCCCOc1c(C)cc(C(=O)O)c(Oc2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.50
LTA4H P09960 2/20 0.47
PLK1 P53350 1/20 0.44
PLA2G2A P14555 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FAAH O00519 2/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL9250462 0.79 THRA (0.48) PTPN11PLA2G2ATP53TSHRPLA2G4B
SCHEMBL29912337 0.79 PLA2G2A (0.49) PTPN11PLA2G2ATP53TSHRPLA2G4B
SCHEMBL29912197 0.79 PLA2G2A (0.49) PTPN11PLA2G2ATP53TSHRPLA2G4B
Ammonia Solution, Strong SCHEMBL31485709 0.78 PLA2G2A (0.48) PTPN11PLA2G2ATP53TSHRPLA2G4B
Ammonia Solution, Strong SCHEMBL31485710 0.78 PLA2G2A (0.48) PTPN11PLA2G2ATP53TSHRPLA2G4B
SCHEMBL25435814 0.76 PLA2G2A (0.46) PTPN11PLA2G2ATP53TSHRPLA2G4B
SCHEMBL6775251 0.74 DHODH (0.46)
SCHEMBL17274979 0.74 LTA4H (0.47) PTPN11LTA4HPLK1PLA2G4B
SCHEMBL27676707 0.73 PTPN11 (0.56) PTPN11PLK1PLA2G2ATP53TSHR
SCHEMBL6757271 0.72 PTPN11 (0.57) PTPN11PLK1PLA2G2ATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406828-A1 Emulsion adhesive composition and process for production thereof Chisso Corporation (JP) 1991-01-09 EP disclosed