SCHEMBL5571040

SCHEMBL5571040

CCCc1cc(C(C)(C)N)cc(CCC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
DHFR P00374 2/20 0.37
HMGCR P04035 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
ESR1 P03372 5/20 0.34
ESR2 Q92731 5/20 0.34
PRKCI P41743 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
KLF10 Q13118 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL224363 0.83 ALOX15 (0.57) CYP2C19ALOX15MAPK1HTTDHFR
SCHEMBL5573025 0.83 GABRA1 (0.48) CYP2C19ALOX15MAPK1HTTDHFR
SCHEMBL3656784 0.82 ALOX15 (0.55) CYP2C19ALOX15MAPK1HTTDHFR
SCHEMBL5571045 0.78 CYP2C19 (0.41) CYP2C19ALOX15MAPK1HTTGABRA1
SCHEMBL20987912 0.77 CYP2C19 (0.38) CYP2C19ALOX15MAPK1HTTDHFR
SCHEMBL20958233 0.74 ESR1 (0.38) CYP2C19ALOX15MAPK1HTTDHFR
SCHEMBL17500086 0.74 CYP2C19 (0.49) CYP2C19ALOX15MAPK1HTTHMGCR
SCHEMBL11183692 0.74 ALOX15 (0.47) CYP2C19ALOX15MAPK1HTTHMGCR
SCHEMBL1023310 0.74 ESR1 (0.48) CYP2C19ALOX15MAPK1HTTGABRA1
SCHEMBL29113876 0.74 DHFR (0.44) DHFRHMGCRGABRA1GABRB2PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040594-A1 Stabilizing high-vinyl polybutadiene BRIDGESTONE CORP. 2003-02-27 US claimed
EP-3458488-B1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORP (JP) 2020-12-30 EP disclosed
US-20190185598-A1 Process For Producing Functionalized Polymers BRIDGESTONE CORPORATION (JP) 2019-06-20 US disclosed
US-7211619-B2 Stabilizing high-vinyl polybutadiene BRIDGESTONE CORPORATION (JP) 2007-05-01 US disclosed