SCHEMBL15499131

SCHEMBL15499131

COc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)c(OC)c2)ccc1-c1ccc(C(=O)c2ccc(OCCOCCOC(C)=O)c(OCCOCCOC(C)=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SCD O00767 6/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL15496885 0.92 PDE4A (0.43) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL15499128 0.92 AKR1C3 (0.42) MCHR1KDM4EHTTKMT2AAKR1C3
SCHEMBL15499129 0.91 AKR1C3 (0.44) MCHR1KDM4EHTTKMT2AAKR1C3
SCHEMBL15499149 0.89 KDM4E (0.45) MCHR1KDM4EHTTKMT2ABACE1
SCHEMBL15496872 0.89 ALDH1A1 (0.43) KDM4EALDH1A1HPGDPDE4APDE4B
SCHEMBL15496860 0.88 PDE4A (0.41) MCHR1KDM4EKMT2AALDH1A1HPGD
SCHEMBL15499142 0.85 KDM1A (0.42) ROCK2ROCK1ALDH1A1PDE4APDE4B
SCHEMBL15496886 0.83 MAPT (0.41) KDM4EALDH1A1HPGDPDE4APDE4B
SCHEMBL15496887 0.82 MAPT (0.48) KDM4EBACE1ALDH1A1HPGDPDE4A
SCHEMBL15499127 0.82 KDM4E (0.49) MCHR1KDM4EHTTKMT2AAKR1C3

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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