SCHEMBL5862979

SCHEMBL5862979

CC(C)(C)c1cc(OP(=O)(O)Oc2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
SRC P12931 1/20 0.48
POLB P06746 2/20 0.42
GPR84 Q9NQS5 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ANPEP P15144 1/20 0.39
LAP3 P28838 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
MAPT P10636 1/20 0.38

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
Tert-Butylbenzene SCHEMBL28277771 0.88 SRC (0.53) ALDH1A1SRCPOLBL3MBTL1TDP1
SCHEMBL9495492 0.86 SRC (0.52) ALDH1A1SRCPOLBL3MBTL1TDP1
SCHEMBL31010503 0.83 ACHE (0.45) ALDH1A1SRCPOLBL3MBTL1
SCHEMBL7868155 0.81 ALDH1A1 (0.47) ALDH1A1SRCPOLBL3MBTL1TDP1
SCHEMBL37038 0.80 SRC (0.73) ALDH1A1SRCPOLBGPR84L3MBTL1
Benzene SCHEMBL11142811 0.80 SRC (0.73) ALDH1A1SRCPOLBGPR84L3MBTL1
SCHEMBL27676341 0.80 SRC (0.73) ALDH1A1SRCPOLBGPR84L3MBTL1
Phenyl Dihydrogen Phosphate SCHEMBL28825833 0.80 SRC (0.58) ALDH1A1SRC
SCHEMBL3693240 0.79 SRC (0.52) ALDH1A1SRCPOLB
SCHEMBL504554 0.78 MAPT (0.49) ALDH1A1POLBL3MBTL1TDP1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031611-B1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD (JP) 2017-09-27 EP disclosed
EP-3031611-A1 THERMAL RECORDING MATERIAL Mitsubishi Paper Mills Limited (JP) 2016-06-15 EP disclosed
US-7071144-B2 Heat response; confining images; reducing residues on print head; colorless dyes and developer; mixture of diphenyl sulfone compound, amide and fluoran dye MITSUBISHI PAPER MILLS, LTD. (JP) 2006-07-04 US disclosed
US-20050030366-A1 Thermal recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-02-10 US disclosed