SCHEMBL5532986

SCHEMBL5532986

CCC(O)(CC1CO1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.52
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM2 P08172 5/20 0.36
CHRM1 P11229 5/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10816039 0.79 MEN1 (0.44) CHRM3MEN1KMT2ACYP1A2TDP1
SCHEMBL7151905 0.79 MEN1 (0.47) CHRM3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL4307361 0.77 CYP2C19 (0.56) CHRM3MEN1KMT2ACYP1A2CYP2C9
SCHEMBL27445773 0.76 MEN1 (0.45) CHRM3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL21647898 0.75 KCNN4 (0.40) MEN1KMT2ALMNAALDH1A1NPY2R
SCHEMBL25359833 0.74 MEN1 (0.45) CHRM3MEN1KMT2ACYP1A2TDP1
SCHEMBL3319132 0.74 MEN1 (0.45) CHRM3MEN1KMT2ACYP1A2TDP1
SCHEMBL16492411 0.74 MEN1 (0.45) CHRM3MEN1KMT2ACYP1A2TDP1
SCHEMBL27551638 0.72 MEN1 (0.49) MEN1KMT2ACYP1A2TDP1CYP3A4
SCHEMBL10747164 0.72 CHRM3 (0.40) CHRM3MEN1KMT2ATDP1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10058498-B2 Composition and method of producing personal care compositions with improved deposition properties HERCULES LLC (US) 2018-08-28 US disclosed
US-20160113854-A1 COMPOSITION AND METHOD OF PRODUCING PERSONAL CARE COMPOSITIONS WITH IMPROVED DEPOSITION PROPERTIES HERCULES INCORPORATED (US) 2016-04-28 US disclosed
EP-2969019-A1 COMPOSITION AND METHOD OF PRODUCING PERSONAL CARE COMPOSITIONS WITH IMPROVED DEPOSITION PROPERTIES Hercules Incorporated (US) 2016-01-20 EP disclosed
WO-2014149019-A1 COMPOSITION AND METHOD OF PRODUCING PERSONAL CARE COMPOSITIONS WITH IMPROVED DEPOSITION PROPERTIES HERCULES INCORPORATED (US) 2014-09-25 WO disclosed
US-20140271504-A1 COMPOSITION AND METHOD OF PRODUCING PERSONAL CARE COMPOSITIONS WITH IMPROVED DEPOSITION PROPERTIES HERCULES INCORPORATED 2014-09-18 US disclosed
EP-1827372-A1 PERSONAL CARE AND HOUSEHOLD COMPOSITIONS OF HYDROPHOBICALLY-MODIFIED POLYSACCHARIDES Hercules Incorporated (US) 2007-09-05 EP disclosed
US-20060134047-A1 Personal care and household compositions of hydrophobically-modified polysaccharides ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC 2006-06-22 US disclosed
WO-2006065848-A1 PERSONAL CARE AND HOUSEHOLD COMPOSITIONS OF HYDROPHOBICALLY-MODIFIED POLYSACCHARIDES HERCULES INCORPORATED (US) 2006-06-22 WO disclosed