SCHEMBL6858057

SCHEMBL6858057

CCCCCCCCCCOc1c(C(=O)O)[nH]c(C(=O)O)c1OCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 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
GPR17 Q13304 1/20 0.46
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
SCHEMBL6855464 0.81 LMNA (0.50) TP53TSHRTHRATHRB
SCHEMBL16429168 0.79 PLA2G2A (0.56) PLA2G2ATP53TSHRMEN1KMT2A
SCHEMBL10537637 0.79 PLA2G2A (0.56) PLA2G2ATP53TSHRMEN1KMT2A
SCHEMBL27452778 0.79 MCL1 (0.53) TSHRMEN1KMT2AGPR17
SCHEMBL8752104 0.76 TSHR (0.57) PLA2G2ATP53TSHRMEN1KMT2A
SCHEMBL10536146 0.75 PLA2G2A (0.51) PLA2G2ATP53TSHRMEN1KMT2A
SCHEMBL8553334 0.75 PLA2G2A (0.51) PLA2G2ATP53TSHRMEN1KMT2A
SCHEMBL6757271 0.74 PTPN11 (0.57) PLA2G2ATP53TSHRMEN1KMT2A
SCHEMBL668868 0.74 PLA2G2A (0.50) PLA2G2ATP53TSHRMEN1KMT2A
SCHEMBL32670803 0.74 PTPN11 (0.57) PLA2G2ATP53TSHRMEN1KMT2A

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
US-6835471-B2 Discotic liquid crystal compounds using a multifunction porphyrin derivative compound which is light-emissive and especially has phosphorescent light emission properties and liquid crystal properties simultaneously CANON KABUSHIKI KAISHA (JP) 2004-12-28 US disclosed
US-20030034722-A1 Light emitting device and display unit which make use of porphyrin derivative compound CANON KABUSHIKI KAISHA (JP) 2003-02-20 US disclosed