SCHEMBL6558963

SCHEMBL6558963

CC(C)(C)CC(C)(C)c1cccc(O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CA2 P00918 2/20 0.38
NR3C1 P04150 3/20 0.33
CYP3A4 P08684 3/20 0.33
PGR P06401 3/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NR3C2 P08235 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3216750 0.85 CA2 (0.45) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL1833403 0.82 CA2 (0.56) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL29363360 0.80 ALDH1A1 (0.58) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL324566 0.80 ALDH1A1 (0.58) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL50706 0.80 SHBG (0.40) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL6558959 0.80 CNR1 (0.45) ALDH1A1ATMMEN1MAPTKMT2A
SCHEMBL7597677 0.79 SHBG (0.42) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL4219474 0.79 TRPA1 (0.48) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL18767597 0.79 CA2 (0.43) SHBGALDH1A1TDP1TSHRCA2
SCHEMBL11590406 0.79 SHBG (0.39) SHBGALDH1A1TDP1TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913459-B1 Surfactants XEROX CORP (US) 2004-03-10 EP disclosed
EP-0960931-B1 Processes for preparing surfactants XEROX CORP (US) 2003-10-08 EP disclosed
EP-0960931-A1 Processes for preparing surfactants Xerox Corporation (US) 1999-12-01 EP disclosed
US-5944650-A PHOSPHOROUS MODIFIED POLYOXYETHYLENE GLYCOL XEROX CORPORATION (US) 1999-08-31 US disclosed
EP-0913459-A1 Surfactants Xerox Corporation (US) 1999-05-06 EP disclosed