SCHEMBL9174672

SCHEMBL9174672

CCCCc1cc(C(c2ccccc2)c2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.42
HKDC1 Q2TB90 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
ALOX5 P09917 7/20 0.37
PTGS2 P35354 4/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
EGFR P00533 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8092835 0.82 GABRA1 (0.48) HKDC1CYP3A4CYP2C9ALOX5TSHR
SCHEMBL28138685 0.77 TYR (0.42) TYRCYP3A4ALOX5PTGS2EGFR
SCHEMBL12457001 0.77 TYR (0.46) TYRCYP3A4CYP2D6CYP2C9LIPG
SCHEMBL25636439 0.77 KDM4E (0.39) HKDC1MEN1MAPTTSHRKMT2A
SCHEMBL28969477 0.75 RIPK1 (0.36) CYP3A4CYP2C9TSHR
SCHEMBL20683924 0.75 PRKCE (0.41) TYRHKDC1MEN1MAPTTSHR
SCHEMBL1023197 0.75 TYR (0.43) TYRCYP3A4CYP2D6CYP2C9LIPG
Phenol SCHEMBL28026722 0.75 TYR (0.47) TYRCYP3A4PTGS2DRD2OPRM1
SCHEMBL4660091 0.75 PTPN1 (0.49) TYRALOX5DRD2OPRM1DRD3
SCHEMBL8037388 0.74 TYR (0.42) TYRCYP3A4CYP2D6CYP2C9ALOX5

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-0650607-A1 IMAGEABLE ARTICLES HAVING INTERPOLYMER COMPLEXES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-03 EP disclosed
WO-1994002884-A1 IMAGEABLE ARTICLES HAVING INTERPOLYMER COMPLEXES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-02-03 WO disclosed