SCHEMBL4931955

SCHEMBL4931955

CCP(CC)Cc1ccc(-c2ccc(CP(CC)CC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
BDKRB2 P30411 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
RARB P10826 2/20 0.31
UCHL1 P09936 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGFR P00533 1/20 0.30
MAOB P27338 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
SCHEMBL8470307 0.80 ESR1 (0.46) TAAR1TSHRHSD17B10EGFR
SCHEMBL6951031 0.79 TP53 (0.50) TAAR1TSHRHSD17B10MAOB
SCHEMBL8028736 0.75
SCHEMBL11762648 0.75 CYP1A2 (0.46) BDKRB2
SCHEMBL5209656 0.75 ALDH1A1 (0.39) TSHRHSD17B10
SCHEMBL4238238 0.74 TP53 (0.50) TAAR1TSHRHSD17B10MAOB
SCHEMBL13700616 0.73 THRB (0.34)
SCHEMBL4453189 0.72 TP53 (0.36) TAAR1
SCHEMBL9405362 0.72 IDO1 (0.50) TAAR1TSHRMAOB
SCHEMBL11761694 0.69 CYP2A6 (0.61) HRH3

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-20080135804-A1 All-in-one organic electroluminescent inks with balanced charge transport properties XIAO, STEVEN SHUYONG (CA) 2008-06-12 US disclosed