SCHEMBL4783887

SCHEMBL4783887

CC=CC(=O)C1=C(CC)CCC(C)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL4783884 1.00 KDM4E (0.32) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL4733019 0.75 THRA (0.35)
SCHEMBL4733020 0.75 THRA (0.35)
SCHEMBL4734419 0.73 THRA (0.34)
SCHEMBL4734422 0.73 THRA (0.34)
SCHEMBL12654264 0.63 CRBN (0.30)
SCHEMBL16311340 0.61 TLR4 (0.33)
SCHEMBL4992281 0.60
SCHEMBL4785306 0.60 TRPA1 (0.32)
SCHEMBL4620598 0.60 HCAR2 (0.37) KDM4EALDH1A1MAPTHPGDALOX15

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
WO-2008071025-A1 CYCLOALKENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM GIVAUDAN SA (CH) 2008-06-19 WO claimed
WO-2008071025-A1 CYCLOALKENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM GIVAUDAN SA (CH) 2008-06-19 WO disclosed