SCHEMBL9054498

SCHEMBL9054498

CC(C)(C)c1cc(O)c(Cc2cc(C(C)(C)C)c(C(C)(C)C)cc2O)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ ALOX15 P16050 6/20 0.56
▸ MAPT P10636 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ATP2A2 P16615 1/20 0.56
▸ ATP2A3 Q93084 1/20 0.56
▸ HSPA5 P11021 3/20 0.50
▸ CYP2C9 P11712 5/20 0.48
▸ HIF1A Q16665 5/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TYR P14679 2/20 0.41
▸ HTT P42858 2/20 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
SCHEMBL3628725 0.88 ALOX15 (0.68) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL12733114 0.88 ALOX15 (0.68) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL2931006 0.85 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL29405765 0.85 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL9008257 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL9175866 0.83 HSPA5 (0.50) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL11682411 0.82 BCL2 (0.55) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL27465722 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL9636859 0.80 HSPA5 (0.52) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2
SCHEMBL9154600 0.80 ALOX15 (0.50) SMN1; SMN2ALDH1A1ALOX15MAPTCYP1A2

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
JP-8283279-A — — None — — JP disclosed
JP-H08283279-A NEW CYCLIC PYROPHOSPHITE AND COMPOSITION STABILIZED THEREWITH CIBA GEIGY AG 1996-10-29 — — JP disclosed
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