SCHEMBL9771574

SCHEMBL9771574

CCOc1ccc(C(OC(c2ccc(OCC)cc2)c2cc(C)c(Cl)c(C)c2)c2cc(C)c(Cl)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ LTA4H P09960 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NFKB1 P19838 1/20 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
SCHEMBL9771543 0.86 KMT2A (0.43) NQO1TDP1TSHRMAPTMEN1
SCHEMBL8439067 0.82 ALDH1A1 (0.42) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL8437304 0.82 NQO1 (0.52) NQO1TDP1TSHRMAPTMEN1
SCHEMBL9771549 0.80 NQO1 (0.54) NQO1TDP1TSHRMAPTMEN1
SCHEMBL9771565 0.75 KMT2A (0.54) NQO1TDP1TSHRMEN1KMT2A
SCHEMBL9771612 0.75 NQO1 (0.52) NQO1TDP1TSHRMAPTMEN1
SCHEMBL12126699 0.73 MCL1 (0.53) NQO1TSHRMEN1KMT2AALDH1A1
SCHEMBL683602 0.69 NQO1 (0.67) NQO1TDP1TSHRMAPTMEN1
SCHEMBL9771540 0.69 SMN1; SMN2 (0.49) MEN1KMT2ALTA4HMAPK1SMN1; SMN2
SCHEMBL9771562 0.69 MEN1 (0.48) MEN1KMT2AALDH1A1LTA4HL3MBTL1

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