SCHEMBL9954878

SCHEMBL9954878

CCCCCCCCCC(C)C=CCc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 5/20 0.41
CNR2 P34972 3/20 0.41
MMP1 P03956 4/20 0.40
MMP2 P08253 3/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 6/20 0.39
MMP13 P45452 6/20 0.39
MMP8 P22894 2/20 0.39
ADAM17 P78536 4/20 0.39
SLC6A4 P31645 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL9954876 1.00 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL9954084 0.84 KCNH2 (0.37) ALDH1A1TP53CYP3A4SLC6A4
SCHEMBL9954085 0.84 KCNH2 (0.37) ALDH1A1TP53CYP3A4SLC6A4
SCHEMBL9954014 0.82 KCNH2 (0.49) ALDH1A1TP53SMN1; SMN2CNR2
SCHEMBL9954010 0.82 KCNH2 (0.49) ALDH1A1TP53SMN1; SMN2CNR2
SCHEMBL9954992 0.82 KCNH2 (0.49) ALDH1A1TP53SMN1; SMN2CNR2
SCHEMBL9954990 0.82 KCNH2 (0.49) ALDH1A1TP53SMN1; SMN2CNR2
SCHEMBL9959963 0.79 TAS1R3 (0.48) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL9959953 0.79 TAS1R3 (0.48) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL9959921 0.78 CYP1A2 (0.42)

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