SCHEMBL20118746

SCHEMBL20118746

CCc1cc(OC)c(OC(C)C)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ TUBB1 Q9H4B7 2/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ SRC P12931 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ CCR3 P51677 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL24703987 0.82 PTGS2 (0.44) PTGS2ALDH1A1GAATUBB1HTR2A
SCHEMBL24703587 0.81 SRC (0.43) PTGS2ALDH1A1GAATUBB1HTR2A
SCHEMBL30374 0.81 PTGS2 (1.00) PTGS2TUBB1HTR2AHTR2CHTR2B
SCHEMBL1968791 0.79 HTR2A (0.70) PTGS2GAATUBB1HTR2AHTR2C
SCHEMBL31540294 0.78 PTGS2 (0.69) PTGS2TUBB1HTR2AHTR2CHTR2B
SCHEMBL14190879 0.77 CA2 (0.52) PTGS2ALDH1A1GAA
SCHEMBL8372213 0.77 CA2 (0.52) PTGS2ALDH1A1
SCHEMBL17051334 0.75 PTGS2 (0.65) PTGS2TUBB1HTR2AHTR2CHTR2B
SCHEMBL4114610 0.75 GAA (0.42) PTGS2ALDH1A1GAAHTR2AHTR2C
SCHEMBL18071824 0.75 PTGS2 (0.72) PTGS2TUBB1HTR2AHTR2CHTR2B

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
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 — — EP disclosed
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