SCHEMBL9955047

SCHEMBL9955047

CCCCCCCCCC(C)/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CSNK1E P49674 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 2/20 0.38
CNR1 P21554 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL4271096 1.00 EGFR (0.44) EGFRTDP1TP53MAPTSMN1; SMN2
SCHEMBL2787091 1.00 EGFR (0.44) EGFRTDP1TP53MAPTSMN1; SMN2
SCHEMBL4264101 1.00 EGFR (0.44) EGFRTDP1TP53MAPTSMN1; SMN2
SCHEMBL4262233 1.00 EGFR (0.44) EGFRTDP1TP53MAPTSMN1; SMN2
SCHEMBL9955051 1.00 EGFR (0.44) EGFRTDP1TP53MAPTSMN1; SMN2
SCHEMBL6859717 0.98 EGFR (0.42) EGFRTDP1TP53MAPTSMN1; SMN2
SCHEMBL2787289 0.93 HTR2A (0.42) EGFRHTR2AMEN1KMT2ALMNA
SCHEMBL9427287 0.85 HTR2A (0.44) TP53HTR2AMEN1KMT2AHDAC3
SCHEMBL19103056 0.82 CHRNB2 (0.46) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL236417 0.81 EGFR (0.43) EGFRTDP1TP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655307-B1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2018-08-01 EP disclosed
US-9193935-B2 Compounds capable of releasing fragrant compounds GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
US-20130316938-A1 Compounds Capable Of Releasing Fragrant Compounds GIVAUDAN S.A. (CH) 2013-11-28 US disclosed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 EP disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO disclosed