SCHEMBL15499188

SCHEMBL15499188

CCCCC(CC)COc1ccc(C(=O)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(=O)c6ccc(OCC(CC)CCCC)cc6)s5)c(OC)c4)cc3OC)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 5/20 0.39
▸ HSD17B2 P37059 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ESR1 P03372 6/20 0.35
▸ ESR2 Q92731 3/20 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
SCHEMBL15496894 0.96 HSD17B1 (0.37) HSD17B1HSD17B2ALDH1A1TSHRMAPK1
SCHEMBL15496883 0.86 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL15496874 0.83 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL15499186 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL15499144 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL15499139 0.81 KDM1A (0.42) ALDH1A1TSHRMAPK1TDP1CNR2
SCHEMBL15499130 0.80 AKR1C3 (0.47) ALDH1A1MAPT
SCHEMBL15499187 0.80 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL15499189 0.79 SRD5A2 (0.38) ALDH1A1TSHRMAPK1TDP1CNR2
SCHEMBL15496896 0.79 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1TDP1MAPT

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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