SCHEMBL5680109

SCHEMBL5680109

c1ccc(CC2CCc3ccccc3C2(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.40
SIGMAR1 Q99720 4/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SLC22A1 O15245 1/20 0.36
PRCP P42785 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL29609540 0.76 HTR2A (0.42) GRIN2BSIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3091289 0.70 NR1H2 (0.43) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3948798 0.69 MAPK1 (0.37)
SCHEMBL8120599 0.68 NOS1 (0.39) DDB1CRBNNOS3NOS1NOS2
SCHEMBL9403738 0.67 CYP19A1 (0.49)
SCHEMBL7154324 0.64 MAOB (0.50) SIGMAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL3409878 0.64 ESR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL14691904 0.64 MAOA (0.50) NOS3NOS1NOS2
SCHEMBL20874433 0.63 NR3C1 (0.74) SIGMAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL11750905 0.62 SRD5A1 (0.40) HTR1A

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
US-7011765-B2 Heat transfer fluid based on polyphenylmethanes exhibiting improved thermal stability ARKEMA (FR) 2006-03-14 US disclosed
EP-1268705-B1 HEAT TRANSFER FLUID BASED ON POLYPHENYLMETHANES EXHIBITING IMPROVED THERMAL STABILITY ARKEMA (FR) 2006-02-15 EP disclosed
CN-1200989-C Heat transfer fuid based on polyphenylmethanes exhibiting improved thermal stability ATOFINA (FR) 2005-05-11 CN disclosed
US-20040031949-A1 Heat transfer fluid based on polyphenylmethanes exhibiting improved thermal stability ATOFINA (FR) 2004-02-19 US disclosed
CN-1432054-A Heat transfer fuid based on polyphenylmethanes exhibiting improved thermal stability ATOFINA (FR) 2003-07-23 CN disclosed