SCHEMBL3269607

SCHEMBL3269607

c1cc(OP(Oc2cccc(C3CCCCC3)c2C2CCCCC2)Oc2cccc(C3CCCCC3)c2C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
ABCB1 P08183 2/20 0.41
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
ADRA2A P08913 3/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CEL P19835 1/20 0.33
HTR1A P08908 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 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
SCHEMBL1726399 0.87 PTGDR2 (0.43) PTGDR2ABCB1HTR1DHTR1BADRA2A
SCHEMBL130364 0.84 PTGDR2 (0.53) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL30133507 0.82 PTGDR2 (0.40) PTGDR2ABCB1HTR1DHTR1BADRA2A
SCHEMBL28728708 0.81 PTGDR2 (0.43) PTGDR2ABCB1HTR1DHTR1BADRA2A
SCHEMBL3679820 0.81 PTGDR2 (0.46) PTGDR2ABCB1HTR1DHTR1BADRA2A
SCHEMBL239469 0.79 ABCB1 (0.43) PTGDR2ABCB1HTR2CCELHTR1A
SCHEMBL14353365 0.77 ABCB1 (0.42) PTGDR2ABCB1HTR2CCELHTR1A
SCHEMBL5086150 0.77 PTGDR2 (0.50) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL12096832 0.77 PTGDR2 (0.43) PTGDR2ABCB1HTR1DHTR1BADRA2A
SCHEMBL247375 0.77 PTGDR2 (0.50) PTGDR2ABCB1MEN1KMT2ACEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4394472-A ARYL PHOSPHITE AND TRIAZINE COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-07-19 US claimed
EP-1052223-B1 HYDROTALCITE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL FILM CONTAINING THE SAME KYOWA CHEM IND CO LTD (JP) 2010-06-16 EP disclosed
EP-0976681-B1 Novel fine particulate synthetic chalcoalumite compounds, process for their production, and heat insulator and agricultural film containing the fine particulate synthetic chalcoalumite compounds KYOWA CHEM IND CO LTD (JP) 2003-04-02 EP disclosed
US-6418661-B1 RADIATION ABSORBER; AGRICULTURE KYOWA CHEMICAL INDUSTRY CO LTD (JP) 2002-07-16 US disclosed
US-6306494-B1 USED FOR GREENHOUSE CULTIVATION OR TUNNEL CULTIVATION OF AGRICULTURAL PRODUCTS; ULTRAVIOLET AND VISIBLE LIGHT TRANSMISSION, MECHANICAL STRENGTH AND ELONGATION KYOWA CHEMICAL INDUSTRY CO LTD (JP) 2001-10-23 US disclosed
EP-1052223-A1 HYDROTALCITE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL FILM CONTAINING THE SAME Kyowa Chemical Industry Co., Ltd. (JP) 2000-11-15 EP disclosed
EP-0976681-A2 Novel fine particulate synthetic chalcoalumite compounds, process for their production, and heat insulator and agricultural film containing the fine particulate synthetic chalcoalumite compounds KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-02-02 EP disclosed
US-4394472-A ARYL PHOSPHITE AND TRIAZINE COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-07-19 US disclosed