SCHEMBL7997294

SCHEMBL7997294

C[Al].Cc1cc(C(C)(C)C)c(O)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 6/20 0.68
▸ ALDH1A1 P00352 5/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ ATP2A2 P16615 1/20 0.68
▸ ATP2A3 Q93084 1/20 0.68
▸ TP53 P04637 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C9 P11712 4/20 0.45
▸ TYR P14679 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ MIF P14174 1/20 0.45

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
SCHEMBL7996981 1.00 ALOX15 (0.68) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL29414126 0.95 ALOX15 (0.75) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL627857 0.95 ALOX15 (0.75) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL824520 0.86 ALOX15 (0.67) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL29395805 0.86 ALOX15 (0.67) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL27515308 0.84 ALOX15 (0.64) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL23542362 0.83 ALOX15 (0.62) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL29872633 0.83 ALOX15 (0.70) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL395984 0.83 ALOX15 (0.70) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL38604 0.83 ALOX15 (1.00) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT

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
WO-2001025225-A2 ADDUCTS OF GLYCIDYLESTERS OF ALPHA, ALPHA-BRANCHED CARBOXYLIC ACIDS AND ACRYLIC ACIDS AND POLY(ORTHO ESTER) AS INTERMEDIATE FOR THEIR PREPARATION RESOLUTION RESEARCH NEDERLAND B.V. (NL) 2001-04-12 — — WO disclosed
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