SCHEMBL15499150

SCHEMBL15499150

CC(=O)OCCOCCOc1cc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)cc2)cc(OCCOCCOC(C)=O)c1OCCOCCOC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ MCHR1 Q99705 2/20 0.38
▸ SRD5A2 P31213 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PTPN2 P17706 2/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ PTPN6 P29350 2/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35

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
SCHEMBL15496884 0.91 LMNA (0.40) KDM4EALDH1A1MAPTTUBB4ATUBB
SCHEMBL15499149 0.90 KDM4E (0.45) KDM4EHTTKMT2ABACE1MCHR1
SCHEMBL15499128 0.90 AKR1C3 (0.42) KDM4EHTTKMT2ABACE1MCHR1
SCHEMBL15496866 0.86 LMNA (0.38) KDM4ESRD5A2ALDH1A1CNR2MAPT
SCHEMBL15499146 0.85 MAOB (0.48) KMT2ASRD5A2CYP1A1CYP1B1MAOB
SCHEMBL15499159 0.83 MAPT (0.44) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15499131 0.80 MCHR1 (0.43) KDM4EHTTKMT2ABACE1MCHR1
SCHEMBL15496876 0.80 POLB (0.41) KDM4EKMT2AALDH1A1MAPTTUBB4A
SCHEMBL15496886 0.80 MAPT (0.41) KDM4EALDH1A1HPGDMAPTTUBB4A
SCHEMBL15499129 0.78 AKR1C3 (0.44) KDM4EHTTKMT2ABACE1MCHR1

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-20140064053-A1 NON-RESONANT TWO-PHOTON ABSORPTION MATERIAL, NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, RECORDING MEDIUM, RECORDING/REPRODUCING METHOD AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2014-03-06 — — US disclosed
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