SCHEMBL17844409

SCHEMBL17844409

CC(=CCO)CCC=C(C)CCC(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TRPV1 Q8NER1 1/20 0.51
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.47
UGT1A1 P22309 1/20 0.47
CTNNB1 P35222 3/20 0.43
WNT3A P56704 3/20 0.43
GSK3B P49841 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL19665138 1.00 KMT2A (0.51) KMT2ATRPV1MEN1MAPTCYP3A4
SCHEMBL19665178 0.86 MAPT (0.49) KMT2ATRPV1MEN1MAPTCYP3A4
SCHEMBL21291797 0.81 TRPV1 (0.45) KMT2ATRPV1MEN1MAPTCYP3A4
SCHEMBL16552778 0.76 KMT2A (0.83) KMT2AMEN1MAPTALDH1A1CTNNB1
SCHEMBL9270268 0.76 CYP3A4 (0.47) KMT2ATRPV1MEN1MAPTCYP3A4
Farnesol SCHEMBL28074103 0.75 MAPT (0.65) KMT2ATRPV1MEN1MAPTCYP3A4
SCHEMBL822848 0.73 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1CTNNB1
SCHEMBL13830267 0.73 KMT2A (0.65) KMT2AMEN1MAPTCYP3A4ALOX15
SCHEMBL28830075 0.73 KMT2A (0.65) KMT2AMEN1MAPTCYP3A4ALOX15
Farnesol SCHEMBL27733184 0.72 MAPT (0.56) KMT2ATRPV1MEN1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233781-B1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO KGAA (DE) 2019-08-28 EP disclosed
EP-3233781-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND Henkel AG & Co. KGaA (DE) 2017-10-25 EP disclosed
WO-2016096539-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2016-06-23 WO disclosed