SCHEMBL8094330

SCHEMBL8094330

CC(C)CC/C(=C/c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
RECQL P46063 1/20 0.49
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
APEX1 P27695 3/20 0.40
MME P08473 2/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GRIK1 P39086 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL28053946 1.00 CYP3A4 (0.54) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL1716809 1.00 CYP3A4 (0.54) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL8579738 0.87 CYP3A4 (0.49) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL10891535 0.84 KMT2A (0.43) CYP3A4CYP2C9LMNAMEN1KMT2A
SCHEMBL30485146 0.83 LMNA (0.57) LMNAMEN1KMT2ATDP1HTT
SCHEMBL196087 0.83 LMNA (0.50) CYP3A4RECQLAKR1C3LMNATDP1
SCHEMBL21264081 0.82 CYP3A4 (0.58) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL1716474 0.82 CYP3A4 (0.58) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL10451936 0.82 CYP3A4 (0.58) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL19717830 0.82 MAPT (0.48) CYP3A4CYP2C9RECQLLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058537-A1 PERSONAL HYGIENE PRODUCT WITH ENHANCED FRAGRANCE DELIVERY Colgate-Palmolive Company (US) 2000-12-13 EP disclosed
WO-1999044577-A1 PERSONAL HYGIENE PRODUCT WITH ENHANCED FRAGRANCE DELIVERY COLGATE-PALMOLIVE COMPANY (US) 1999-09-10 WO disclosed