SCHEMBL15499144

SCHEMBL15499144

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ PLA2G4B P0C869 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34

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 0.94 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15496896 0.94 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15496874 0.90 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15499139 0.88 KDM1A (0.42) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15499130 0.87 AKR1C3 (0.47) ALDH1A1MAPTHPGDKDM4E
SCHEMBL15499186 0.85 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15496893 0.84 ALDH1A1 (0.36) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15499189 0.83 SRD5A2 (0.38) ALDH1A1MAPTMAPK1TSHRTDP1
SCHEMBL15499187 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15499188 0.81 HSD17B1 (0.39) ALDH1A1MAPTMAPK1TSHRTDP1

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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