SCHEMBL7616178

SCHEMBL7616178

CCCCCCC(C)C(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CSNK1E P49674 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRSS1 P07477 2/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
MMP2 P08253 3/20 0.38
MMP3 P08254 1/20 0.38
HDAC8 Q9BY41 4/20 0.37
HDAC3 O15379 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HTT P42858 2/20 0.37
CNR2 P34972 1/20 0.36

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
Hydrogen Peroxide SCHEMBL9456660 0.98 ALDH1A1 (0.46) ALDH1A1CSNK1EMEN1KMT2ANPSR1
SCHEMBL6057016 0.93 POLB (0.38) ALDH1A1MEN1KMT2APRSS1CTSG
SCHEMBL11177019 0.84 CSNK1E (0.41) ALDH1A1CSNK1EMEN1KMT2ANPSR1
SCHEMBL27556298 0.84 CSNK1E (0.38) ALDH1A1CSNK1EMEN1KMT2ANPSR1
Hydrogen Peroxide SCHEMBL9456643 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL11795050 0.83 ESR1 (0.47) ALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL578180 0.81 CSNK1E (0.38) ALDH1A1CSNK1EMEN1KMT2ANPSR1
SCHEMBL10726204 0.81 CSNK1E (0.46) ALDH1A1CSNK1EPRSS1CTSGCTRB1
Water SCHEMBL11260622 0.81 CSNK1E (0.46) ALDH1A1CSNK1EPRSS1CTSGCTRB1
Water SCHEMBL11573895 0.81 CSNK1E (0.46) ALDH1A1CSNK1EPRSS1CTSGCTRB1

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-1198442-A1 USE OF METATHESIS PRODUCTS OF FISCHER-TROPSCH PROCESS PRODUCTS Sasol Technology (Proprietary) Limited (ZA) 2002-04-24 EP disclosed
WO-2001002328-A1 USE OF METATHESIS PRODUCTS OF FISCHER-TROPSCH PROCESS PRODUCTS SASOL TECHNOLOGY (PTY) LTD. (ZA) 2001-01-11 WO disclosed