SCHEMBL11288451

SCHEMBL11288451

C=CCc1cc(CC(C)(C)C=O)cc(CC=C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 2/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
BLM P54132 1/20 0.57
ATM Q13315 1/20 0.57
HIF1A Q16665 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.41
DHFR P00374 1/20 0.37
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL11285847 0.81 DHFR (0.39) MEN1KMT2AMAPK1MAPTUSP2
SCHEMBL2461750 0.74 XDH (0.48) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8955160 0.74 CYP1A2 (0.66) MEN1KMT2AMAPK1MAPTUSP2
SCHEMBL9489328 0.73 DHFR (0.48) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL11660801 0.73 GABRA1 (0.45) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL2372640 0.73 ALDH1A1 (1.00) MEN1KMT2AMAPK1MAPTUSP2
SCHEMBL240977 0.72 ALOX15 (0.53) MEN1KMT2AMAPK1ALDH1A1CYP3A4
SCHEMBL13259833 0.72 CYP2C19 (0.53) MEN1KMT2AMAPK1CYP1A2CYP2D6
SCHEMBL9260316 0.71 PTPRB (0.49) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL11579327 0.71 KDM4E (0.41) MEN1KMT2AMAPTALDH1A1NPSR1

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-4333868-A Phosphite ester stabilizers CIBA-GEIGY CORPORATION (US) 1982-06-08 US disclosed
US-4132702-A Phenol esters and amides and polymers stabilized therewith CIBA-GEIGY CORPORATION (US) 1979-01-02 US disclosed