SCHEMBL25460932

SCHEMBL25460932

CCOCc1cc(OC)c(OCC)c(OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
PTGS2 P35354 1/20 0.46
TUBB1 Q9H4B7 3/20 0.43
DHFR P00374 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CALM1 P0DP23 3/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL25460925 0.96 HTR2A (0.61) HTR2AHTR2CHTR2BPTGS2TUBB1
SCHEMBL31432799 0.85 PTGS2 (0.63) HTR2AHTR2CHTR2BPTGS2TUBB1
SCHEMBL25460918 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BPTGS2TUBB1
SCHEMBL7954477 0.80 TSHR (0.43) HTR2AHTR2CHTR2BTUBB1TSHR
SCHEMBL18071824 0.79 PTGS2 (0.72) HTR2AHTR2CHTR2BPTGS2TUBB1
SCHEMBL15259653 0.79 CALM1 (0.59) TSHRCALM1NPC1
SCHEMBL20970970 0.77 HTR2A (0.93) HTR2AHTR2CHTR2BPTGS2TUBB1
SCHEMBL22016200 0.77 PTGS2 (0.42) HTR2AHTR2CHTR2BPTGS2TUBB1
SCHEMBL1021258 0.76 PTGS2 (0.43) HTR2AHTR2CHTR2BPTGS2TUBB1
SCHEMBL11926455 0.76 PTGS2 (0.43) HTR2AHTR2CHTR2BPTGS2TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152699-A1 FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-05-18 US disclosed