SCHEMBL6855464

SCHEMBL6855464

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
ESR1 P03372 1/20 0.44
MMP2 P08253 1/20 0.43
ALOX15 P16050 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43

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
SCHEMBL6858057 0.81 PLA2G2A (0.51) TSHRTHRATHRBTP53
SCHEMBL11350310 0.77 PSEN1 (0.45) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL11279978 0.76 CYP1A2 (0.55) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL1201167 0.75 ESR1 (0.56) ESR1
SCHEMBL1200391 0.75 ESR1 (0.56) ESR1
SCHEMBL1201057 0.75 ESR1 (0.56) ESR1
SCHEMBL1200967 0.75 ESR1 (0.56) ESR1
SCHEMBL1201263 0.75 ESR1 (0.56) ESR1
SCHEMBL1199870 0.75 ESR1 (0.56) ESR1
SCHEMBL1200921 0.75 ESR1 (0.56) ESR1

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