SCHEMBL5267874

SCHEMBL5267874

[CH2]c1cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.58
BLM P54132 1/20 0.50
NR5A1 Q13285 1/20 0.50
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.44
LTA4H P09960 3/20 0.44
CNR1 P21554 6/20 0.43
CNR2 P34972 4/20 0.43
PLA2G4B P0C869 1/20 0.43
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL5269128 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5266849 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5270531 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5271277 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5273089 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5267390 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5332359 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5268054 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5267532 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL5267475 1.00 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53

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-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP disclosed