SCHEMBL7466101

SCHEMBL7466101

CCCCCCCCCOc1ccc(-c2ccc3oc(C(=O)O)cc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.59
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 3/20 0.51
RARA P10276 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
PIM1 P11309 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
LMNA P02545 1/20 0.48
PTPN11 Q06124 2/20 0.47
PTGER4 P35408 1/20 0.47
PLA2G4A P47712 1/20 0.47

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
SCHEMBL11457413 0.90 PIM1 (0.54) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL7467756 0.87 RARB (0.49) RARBTP53TSHRMEN1KMT2A
SCHEMBL9990974 0.86 PIM1 (0.58) TP53MEN1KMT2APIM1LMNA
SCHEMBL7461350 0.84 RARB (0.58) RARBTP53RARAMEN1KMT2A
SCHEMBL11455911 0.83 MAOA (0.62) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL18591899 0.81 PIM1 (0.58) TP53MEN1KMT2APIM1PIM2
SCHEMBL11455696 0.79 MEN1 (0.48) TP53TSHRMEN1KMT2ATDP1
SCHEMBL11279691 0.78 CA12 (0.61) TP53TSHRMEN1KMT2ATDP1
SCHEMBL11464989 0.77 FLT3 (0.63) TP53TDP1NR1H4PIM1PIM2
SCHEMBL7556985 0.77 MAPT (0.48) RARBRARAMEN1KMT2ATDP1

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-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 WO disclosed