SCHEMBL7944933

SCHEMBL7944933

COc1c(C)cc(CCCO)cc1C1(C)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.38
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 4/20 0.35
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CNR2 P34972 3/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
FASN P49327 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL6567296 0.92 GLA (0.35) S1PR1S1PR3RARARARBRARG
SCHEMBL7944733 0.85 TNKS2 (0.37) TNKS2S1PR1RARARARBRARG
SCHEMBL6567008 0.84 TNKS2 (0.36) TNKS2RARARARBRARG
SCHEMBL2911296 0.82 GLA (0.44) TNKS2S1PR1S1PR3RARBRARG
SCHEMBL7794944 0.82 THRA (0.41) S1PR1S1PR3RARARARBRARG
SCHEMBL7933878 0.81 ALDH1A1 (0.40) S1PR1S1PR3RARARARBRARG
SCHEMBL2916635 0.79 TNKS2 (0.58) TNKS2RARARARBRARGGLA
SCHEMBL7794887 0.79 PTGDR (0.43) RARARARBRARGGLATSHR
SCHEMBL8397569 0.78 KMT2A (0.41) S1PR1S1PR3RARARARBRARG
SCHEMBL9689485 0.78 TNKS2 (0.53) TNKS2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed