SCHEMBL4742219

SCHEMBL4742219

CCCCCCCCCCCCCCCCCCCCCCCCOc1c[c]cc(OCCCCCCCCCCCCCCCCCCCCCCCC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.55
NR5A1 Q13285 1/20 0.52
TSHR P16473 2/20 0.50
BLM P54132 1/20 0.47
TP53 P04637 2/20 0.46
LTA4H P09960 3/20 0.46
PLA2G4B P0C869 2/20 0.44
RARB P10826 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMPD1 P17405 1/20 0.41

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
SCHEMBL4747004 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL1664389 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL4742228 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL4745427 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL4746115 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL4742837 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL4746053 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL4809016 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL20819703 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53
SCHEMBL4746092 1.00 PLA2G2A (0.55) PLA2G2ANR5A1TSHRBLMTP53

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
WO-2008113753-A1 METHOD FOR THE PRODUCTION OF RYLENE TETRACARBOXYLIC ACID DIIMIDES THE IMIDE NITROGENS OF WHICH CARRY HYDROGEN ATOMS AND THE USE THEREOF BASF SE (DE) 2008-09-25 WO disclosed
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP disclosed