SCHEMBL9771612

SCHEMBL9771612

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.52
▸ MAOB P27338 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SOD1 P00441 1/20 0.41
▸ LTA4H P09960 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40

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
SCHEMBL31423 0.84 NQO1 (0.74) NQO1MAOBTSHRTDP1LTA4H
SCHEMBL9771549 0.83 NQO1 (0.54) NQO1MAOBMEN1KMT2ATSHR
SCHEMBL9771646 0.83 CYP1A2 (0.50) L3MBTL1TSHRTDP1LTA4HMAPK1
SCHEMBL15201648 0.82 NQO1 (0.64) NQO1MAOBTSHRTDP1LTA4H
SCHEMBL8437304 0.81 NQO1 (0.52) NQO1MAOBL3MBTL1MEN1KMT2A
SCHEMBL9771565 0.81 KMT2A (0.54) NQO1MAOBL3MBTL1MEN1KMT2A
SCHEMBL10017477 0.78 NQO1 (0.64) NQO1MAOBL3MBTL1TSHRTDP1
SCHEMBL10017501 0.78 NQO1 (0.64) NQO1MAOBL3MBTL1TSHRTDP1
SCHEMBL25548715 0.78 NQO1 (0.64) NQO1MAOBTSHRTDP1LTA4H
SCHEMBL2488793 0.75 NQO1 (0.74) NQO1TSHRTDP1LTA4HLMNA

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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