SCHEMBL9954944

SCHEMBL9954944

CCOc1cc(C=CCc2ccc(C)cc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.56
ALDH1A1 P00352 2/20 0.55
ABL1 P00519 1/20 0.54
ABCB1 P08183 1/20 0.54
BCR P11274 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 4/20 0.48
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
STK17B O94768 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL9954938 1.00 TOP2A (0.56) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL9955399 0.88 TOP2A (0.57) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL9955395 0.88 TOP2A (0.57) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL9955020 0.87 ABL1 (0.66) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL9955022 0.87 ABL1 (0.66) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL11607065 0.81 TOP2A (0.66) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL22382769 0.80 TOP2A (0.64) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL10056611 0.80 TOP2A (0.64) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL22122568 0.77 TOP2A (0.61) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL25216640 0.76 CXCL12 (0.74) TOP2AALDH1A1MAPTKDM4EMAOB

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 7 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
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