SCHEMBL7189140

SCHEMBL7189140

CCCC(N)Cc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
HTR2A P28223 1/20 0.37
CTNNB1 P35222 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALOX5 P09917 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 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
SCHEMBL7194271 0.91 TLR8 (0.40) TACR1HTR2ACTNNB1CYP1A2CYP2C19
SCHEMBL7191436 0.90 TLR8 (0.41) TACR1HTR2ATLR8KMT2ACNR2
SCHEMBL7190392 0.89 TLR8 (0.41) TACR1HTR2ATLR8KMT2ACNR2
SCHEMBL7183650 0.89 TLR8 (0.41) TACR1HTR2ATLR8KMT2ACNR2
SCHEMBL7202017 0.88 HTR2A (0.49) TACR1HTR2ACTNNB1CYP1A2CYP2C19
SCHEMBL29289210 0.78 HTR2A (0.41) HTR2ACYP2D6CYP2A6
SCHEMBL1537099 0.75 CYP1A2 (0.44) CYP1A2CYP2C19CYP2D6TLR8ALDH1A1
SCHEMBL1992949 0.75 ALOX5 (0.47) CYP1A2CYP2C19ALOX5TLR8ALDH1A1
SCHEMBL2992860 0.75 MEN1 (0.49) CTNNB1CYP1A2CYP2C19CYP2D6ALDH1A1
Phosphine SCHEMBL28240161 0.74 CYP1A2 (0.43) CYP1A2CYP2C19CYP2D6TLR8ALDH1A1

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-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
US-6147035-A DETERGENCY; HEAT AND OXIDATION RESISTANCE; REDUCE NITROGEN OXIDE EMISSION TONEN CORPORATION (JP) 2000-11-14 US disclosed
EP-0778334-A1 HEAT-RESISTANT LUBRICATING OIL COMPOSITION Tonen Corporation (JP) 1997-06-11 EP disclosed