SCHEMBL6558955

SCHEMBL6558955

CC(C)(C)CC(C)(C)c1c(O)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
CYP3A4 P08684 4/20 0.33
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 1/20 0.32
RIPK1 Q13546 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL28020228 0.86 SHBG (0.48) SHBGESR1CYP3A4HIF1ACYP2D6
SCHEMBL20807053 0.83 RIPK1 (0.39) ESR1ESR2TRPA1ATMALDH1A1
SCHEMBL18408669 0.81 TRPA1 (0.33) ESR1ESR2TRPA1ATMALDH1A1
SCHEMBL21370912 0.80 ESR1 (0.34) ESR1ESR2TRPA1ATMALDH1A1
SCHEMBL29597345 0.79 TRPA1 (0.48) SHBGESR1ESR2CYP3A4HIF1A
SCHEMBL7597677 0.79 SHBG (0.42) SHBGESR1CYP3A4HIF1ACYP2D6
SCHEMBL679143 0.79 TRPA1 (0.48) SHBGESR1ESR2CYP3A4HIF1A
SCHEMBL2492055 0.78 TRPA1 (0.44) ESR1ESR2CYP3A4HIF1ATRPA1
SCHEMBL6469365 0.78 ALDH1A1 (0.50) SHBGESR1CYP3A4HIF1ACYP2D6
SCHEMBL6935470 0.78 SHBG (0.52) SHBGESR1ESR2CYP3A4HIF1A

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