SCHEMBL5721731

SCHEMBL5721731

CC(C)(C)c1ccc2c(c1-c1ccccc1-c1ccccc1)C=C(c1ccccc1)[CH]2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL5721322 0.85 PTPN5 (0.30)
SCHEMBL5721730 0.83
SCHEMBL5609823 0.82 HDAC4 (0.32) ALDH1A1MAPK1
SCHEMBL5721311 0.81 CYP2A6 (0.33) ALDH1A1
SCHEMBL5721908 0.81 RXRA (0.35)
SCHEMBL5721642 0.80
SCHEMBL5721204 0.79
SCHEMBL5721120 0.78 PSMB5 (0.32)
SCHEMBL5609288 0.78 METAP2 (0.30)
SCHEMBL5721186 0.78 CNR1 (0.35)

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed