SCHEMBL7194271

SCHEMBL7194271

CCCCC(N)Cc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
TACR1 P25103 1/20 0.40
CNR2 P34972 1/20 0.39
HTR2A P28223 2/20 0.38
CTNNB1 P35222 1/20 0.35
HTR2C P28335 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR1 P21554 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL7191436 0.96 TLR8 (0.41) TLR8TACR1CNR2HTR2ACNR1
SCHEMBL7190392 0.94 TLR8 (0.41) TLR8TACR1CNR2HTR2ACNR1
SCHEMBL7183650 0.94 TLR8 (0.41) TLR8TACR1CNR2HTR2ACNR1
SCHEMBL7189140 0.91 TACR1 (0.41) TLR8TACR1CNR2HTR2ACTNNB1
SCHEMBL7202017 0.85 HTR2A (0.49) TACR1HTR2ACTNNB1KCNA5KCNH2
SCHEMBL1990279 0.77 ALOX5 (0.45) TLR8CNR2CNR1CYP1A2CYP2C19
Phosphine SCHEMBL28863280 0.75 CNR2 (0.46) TLR8CNR2CNR1CYP1A2CYP2D6
SCHEMBL6058810 0.75 CNR1 (0.49) TLR8CNR2KCNH2CNR1CYP1A2
SCHEMBL24148832 0.75 SIGMAR1 (0.40) CNR2HTR2A
SCHEMBL28053357 0.74 CNR1 (0.50) TLR8CNR2KCNH2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586376-B1 Sterically hindered polyol ester and polyphenyl thioether, oxidation resistance; jet turbine engines EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2003-07-01 US disclosed
US-6191080-B1 MIXTURE OF POLYOL ESTERS, MIXTURE OF POLYPHENYLENE ETHER AND POLYOL ESTER AND POLYPHENYLENE THIOETHERS TONEN CORPORATION (JP) 2001-02-20 US disclosed
EP-0778334-A1 HEAT-RESISTANT LUBRICATING OIL COMPOSITION Tonen Corporation (JP) 1997-06-11 EP disclosed