SCHEMBL15499189

SCHEMBL15499189

CCCCC(CC)COc1ccc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)c6ccccc56)c(OC)c4)cc3OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.38
▸ AKR1C3 P42330 4/20 0.35
▸ AKR1C2 P52895 4/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HCRTR1 O43613 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
SCHEMBL15499130 0.88 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1MAPTGCGR
SCHEMBL15496883 0.88 ALDH1A1 (0.42) ALDH1A1CA2CYP3A4LMNAMAPT
SCHEMBL15496893 0.85 ALDH1A1 (0.36) ALDH1A1CA2CYP3A4CNR2CNR1
SCHEMBL15496874 0.84 ALDH1A1 (0.42) ALDH1A1CA2CYP3A4LMNAMAPT
SCHEMBL15499144 0.83 ALDH1A1 (0.39) SRD5A2ALDH1A1CA2CYP3A4LMNA
SCHEMBL15499139 0.82 KDM1A (0.42) ALDH1A1CYP3A4CNR2CNR1LMNA
SCHEMBL15496896 0.80 ALDH1A1 (0.37) ALDH1A1CA2CYP3A4LMNAMAPT
SCHEMBL15499188 0.79 HSD17B1 (0.39) ALDH1A1CYP3A4CNR2CNR1LMNA
SCHEMBL15499186 0.79 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4LMNAMAPT
SCHEMBL15496894 0.76 HSD17B1 (0.37) ALDH1A1CYP3A4CNR2CNR1LMNA

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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