SCHEMBL15499130

SCHEMBL15499130

CCCCC(CC)COc1ccc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)c(OC)c4)cc3OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ PPARD Q03181 8/20 0.41
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ MTTP P55157 1/20 0.38
▸ GCGR P47871 2/20 0.38
▸ GIPR P48546 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 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
SCHEMBL15496883 0.92 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHPGD
SCHEMBL15496874 0.89 ALDH1A1 (0.42) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL15499189 0.88 SRD5A2 (0.38) AKR1C3AKR1C2GCGRALDH1A1MAPT
SCHEMBL15499147 0.87 PPARD (0.44) PPARDCYP1A1CYP1B1ALDH1A1
SCHEMBL15499144 0.87 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGD
SCHEMBL15499139 0.86 KDM1A (0.42) KDM4EALDH1A1MAPTHPGD
SCHEMBL15496896 0.85 ALDH1A1 (0.37) KDM4EALDH1A1MAPTHPGD
SCHEMBL15499186 0.83 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGD
SCHEMBL15496893 0.82 ALDH1A1 (0.36) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL15499188 0.80 HSD17B1 (0.39) ALDH1A1MAPT

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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