SCHEMBL21542479

SCHEMBL21542479

CCC(=O)C1=CCCC=C(C)CCC=C(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
PTPN1 P18031 2/20 0.40
TAS2R46 P59540 2/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TERT O14746 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL11949184 0.80
SCHEMBL19743479 0.76 CHRNB2 (0.49) CHRNB2CHRNA4MEN1KMT2A
SCHEMBL19743478 0.76 CHRNB2 (0.49) CHRNB2CHRNA4MEN1KMT2A
SCHEMBL19743477 0.76 CHRNB2 (0.49) CHRNB2CHRNA4MEN1KMT2A
SCHEMBL9069679 0.75
SCHEMBL13308039 0.73 CHRNB2 (0.38) CHRNB2CHRNA4PTPN1MEN1KMT2A
SCHEMBL3936517 0.73 HDAC2 (0.52) CHRNB2CHRNA4
SCHEMBL2902701 0.73 PTPN1 (0.56) PTPN1TAS2R46MEN1RECQLKMT2A
SCHEMBL2902702 0.73 PTPN1 (0.56) PTPN1TAS2R46MEN1RECQLKMT2A
SCHEMBL2902703 0.73 PTPN1 (0.56) PTPN1TAS2R46MEN1RECQLKMT2A

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-20190343977-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH SA (CH) 2019-11-14 US disclosed