SCHEMBL9016884

SCHEMBL9016884

CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(OCCCCCCCCCCCC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.68
NR5A1 Q13285 1/20 0.59
BLM P54132 1/20 0.58
TSHR P16473 2/20 0.57
LTA4H P09960 3/20 0.52
TP53 P04637 1/20 0.52
PLA2G4B P0C869 2/20 0.50
CNR1 P21554 3/20 0.49
CNR2 P34972 2/20 0.49
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
ESR1 P03372 1/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL18886699 1.00 PLA2G2A (0.68) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL12550198 0.91 PLA2G2A (0.59) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL28360552 0.91 PLA2G2A (0.59) PLA2G2ANR5A1BLMTSHRCNR1
SCHEMBL17835021 0.91 PLA2G2A (0.59) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL2759077 0.89 PLA2G2A (0.55) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL5270660 0.89 PLA2G2A (0.58) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL5267874 0.89 PLA2G2A (0.58) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL5273089 0.89 PLA2G2A (0.58) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL5267532 0.89 PLA2G2A (0.58) PLA2G2ANR5A1BLMTSHRLTA4H
SCHEMBL6816991 0.89 NR5A1 (0.66) PLA2G2ANR5A1BLMLTA4HCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453010-B1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INT RESEARCH (NL) 1996-06-05 EP disclosed
EP-0453010-A1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-23 EP disclosed