SCHEMBL9602352

SCHEMBL9602352

C=CCc1cc(CC)c(N)c(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 1/20 0.36
CYP3A4 P08684 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
XDH P47989 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH2 P05091 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
SCHEMBL9602800 0.89 ALDH1A1 (0.42) POLBHTTALDH1A1PPARGPPARD
SCHEMBL2162708 0.85 XDH (0.39) POLBALDH1A1PPARGPPARDPPARA
SCHEMBL9603196 0.84 DHFR (0.44) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL12802705 0.81 ALDH1A1 (0.41) POLBALDH1A1PPARGPPARDPPARA
SCHEMBL467179 0.79 GABRA1 (0.35) POLBALDH1A1PPARGPPARDPPARA
SCHEMBL9167773 0.79 KDM4E (0.44) POLBALDH1A1PPARGPPARDCYP3A4
SCHEMBL466874 0.78 DHFR (0.40) POLBALDH1A1PPARGPPARDCYP3A4
SCHEMBL112571 0.77 HTT (0.52) POLBHTTALDH1A1TP53MAPT
SCHEMBL26200949 0.76 ALDH1A1 (0.46) POLBALDH1A1PPARGPPARDPPARA
SCHEMBL12802185 0.75 ALDH1A1 (0.48) POLBHTTALDH1A1PPARGPPARD

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-5198516-A THERMALLY STABLE BISIMIDO/P-ALLYLANILINE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed