SCHEMBL8553334

SCHEMBL8553334

CCCCCCCCCCOc1c(C(=O)O)sc(C(=O)O)c1OCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 5/20 0.50
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
RARB P10826 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLA2G4A P47712 1/20 0.45

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
SCHEMBL4652888 0.81 CXCR2 (0.51) TP53TSHRPLA2G4BMEN1KMT2A
SCHEMBL4651616 0.81 CXCR2 (0.51) TP53TSHRPLA2G4BMEN1KMT2A
SCHEMBL4651710 0.81 CXCR2 (0.51) TP53TSHRPLA2G4BMEN1KMT2A
SCHEMBL10537637 0.79 PLA2G2A (0.56) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL16429168 0.79 PLA2G2A (0.56) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL9580691 0.79 TP53 (0.49) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL8752104 0.76 TSHR (0.57) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL6858057 0.75 PLA2G2A (0.51) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL10536146 0.75 PLA2G2A (0.51) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL4651707 0.74 TSHR (0.48) PLA2G2ATP53TSHRPLA2G4BRARB

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
US-5859251-A SYMMETRICAL CHROMOPHORES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1999-01-12 US disclosed