SCHEMBL28250097

SCHEMBL28250097

CC=Cc1ccc(OCC)c(O)c1.CCOCC=C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.48
CYP19A1 P11511 2/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
TTR P02766 1/20 0.42
PTGES O14684 2/20 0.42
TYR P14679 1/20 0.41
TOP2A P11388 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
MTNR1A P48039 1/20 0.41
APP P05067 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 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
SCHEMBL272462 0.86 TUBB1 (0.60) TUBB1ALOX5TYRTOP2AALDH1A1
SCHEMBL29403643 0.86 TUBB1 (0.60) TUBB1ALOX5TYRTOP2AALDH1A1
SCHEMBL111431 0.86 TUBB1 (0.60) TUBB1ALOX5TYRTOP2AALDH1A1
SCHEMBL995564 0.86 TUBB1 (0.60) TUBB1ALOX5TYRTOP2AALDH1A1
SCHEMBL29355222 0.86 TUBB1 (0.60) TUBB1ALOX5TYRTOP2AALDH1A1
SCHEMBL6560457 0.74 ALDH1A1 (0.68) TUBB1PTGS2TYRTOP2AALDH1A1
SCHEMBL22493034 0.74 ALDH1A1 (0.68) TUBB1PTGS2TYRTOP2AALDH1A1
SCHEMBL13534969 0.74 ALDH1A1 (0.68) TUBB1PTGS2TYRTOP2AALDH1A1
SCHEMBL14997047 0.74 MAPT (0.52) TUBB1TYRALDH1A1APPCNR2
SCHEMBL28865672 0.73 TUBB1 (0.47) TUBB1TTRTYRTOP2AALDH1A1

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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed