SCHEMBL9879175

SCHEMBL9879175

C=CCc1cc(C)[c]c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 1/20 0.39
CYP3A4 P08684 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
XDH P47989 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
CNR2 P34972 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH2 P05091 1/20 0.38

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
SCHEMBL4190361 0.78
SCHEMBL215399 0.76 XDH (0.50) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL10412824 0.76 TNKS (0.37) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL1553874 0.75 ALDH1A1 (0.42) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL9752458 0.74 FFAR4 (0.44) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL12802084 0.73 FFAR4 (0.46) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL7167695 0.73 XDH (0.40) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL10873667 0.71 XDH (0.39) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL1158732 0.71 XDH (0.39) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL10659903 0.71 FFAR4 (0.41) ALDH1A1PPARGPPARDPPARACYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003070-A Antilipemic agents; arteriosclerosis; antibiotics CIBA-GEIGY CORPORATION (US) 1991-03-26 US claimed
EP-0350445-A1 Substituted azacyclohexyl derivatives CIBA-GEIGY AG (CH) 1990-01-10 EP claimed
JP-2056487-A None JP disclosed
US-5003070-A Antilipemic agents; arteriosclerosis; antibiotics CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
US-5003070-A Antilipemic agents; arteriosclerosis; antibiotics CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
US-4954580-A ADHESIVES, SEALING, COATING, ENCAPSULATION CIBA-GEIGY CORPORATION (US) 1990-09-04 US disclosed
JP-H0256487-A SUBSTITUTED AZACYCLOHEXYL DERIVATIVE CIBA GEIGY AG 1990-02-26 JP disclosed
EP-0350445-A1 Substituted azacyclohexyl derivatives CIBA-GEIGY AG (CH) 1990-01-10 EP disclosed
EP-0350445-A1 Substituted azacyclohexyl derivatives CIBA-GEIGY AG (CH) 1990-01-10 EP disclosed
EP-0319472-A2 Epoxy siloxanes CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed