SCHEMBL4453768

SCHEMBL4453768

Cc1ccc(C(OP(=O)(O)O)c2ccc(C)cc2C)c(C)c1.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRM1 Q13255 2/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
ACP3 P15309 1/20 0.33

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
SCHEMBL4447604 0.81 ALDH1A1 (0.34) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4453671 0.78 ALDH1A1 (0.34) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28204031 0.77 ESR1 (0.55) TDP1LMNACHRM1SLC6A2ADRA1A
SCHEMBL1725603 0.72 TSHR (0.45) LMNATSHRHPGDKMT2AMEN1
SCHEMBL27559347 0.69 INPPL1 (0.50) TDP1TP53LMNAHPGD
SCHEMBL4445850 0.69 SMN1; SMN2 (0.38) TDP1LMNATRPA1SMN1; SMN2
SCHEMBL22100 0.68 TRPV1 (0.34) TDP1LMNATSHRHPGDKMT2A
SCHEMBL11138185 0.68 ALOX15 (0.35) TAS1R3TAS1R1TAS1R2LMNATRPA1
SCHEMBL8148760 0.67 LMNA (0.34) LMNATSHRKMT2AMEN1SMN1; SMN2
SCHEMBL109597 0.67 INPPL1 (0.52) TDP1TP53LMNAHPGD

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-7531605-B2 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU KOSAN CO., LTD. (JP) 2009-05-12 US disclosed
EP-1375538-B1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU KOSAN CO (JP) 2008-01-09 EP disclosed
US-20040106738-A1 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1375538-A1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-01-02 EP disclosed