SCHEMBL9771565

SCHEMBL9771565

CCOc1ccc(C(OC(c2ccc(F)cc2)c2ccc(OCC)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NQO1 P15559 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAOB P27338 1/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ TDO2 P48775 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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
SCHEMBL1547683 0.84 NQO1 (0.74) KMT2AMEN1NQO1TDP1CYP1A2
SCHEMBL9771549 0.83 NQO1 (0.54) KMT2AMEN1NQO1TDP1CYP1A2
Ammonia Solution, Strong SCHEMBL322908 0.82 NQO1 (0.70) KMT2AMEN1NQO1TDP1CYP1A2
SCHEMBL8437304 0.81 NQO1 (0.52) KMT2AMEN1NQO1TDP1L3MBTL1
SCHEMBL9771612 0.81 NQO1 (0.52) KMT2AMEN1NQO1TDP1L3MBTL1
SCHEMBL9771604 0.79 NFE2L2 (0.53) KMT2AMEN1TDP1L3MBTL1MAOB
SCHEMBL22874669 0.78 LTA4H (0.65) KMT2AMEN1NQO1TDP1CYP1A2
SCHEMBL9771574 0.75 NQO1 (0.44) KMT2AMEN1NQO1TDP1L3MBTL1
SCHEMBL8375667 0.75 NQO1 (0.58) KMT2AMEN1NQO1TDP1CYP1A2
SCHEMBL12748150 0.74 SLC6A2 (0.56) IDO1TDO2SLC6A2SLC6A4SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981835-A BENZYL ETHER DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 — — US claimed
US-4981835-A BENZYL ETHER DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 — — US disclosed
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