SCHEMBL14878121

SCHEMBL14878121

CCCOc1cc(C)cc(OS(=O)(=O)c2ccc(C(=O)OC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ EGFR P00533 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ F2 P00734 9/20 0.45
▸ ENPP1 P22413 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ STS P08842 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL14878173 0.85 ABL1 (0.49) EGFRF2ENPP1
SCHEMBL14878151 0.85 F2 (0.47) F2TDP1L3MBTL1
SCHEMBL14878175 0.84 MEN1 (0.48) F2
SCHEMBL8088156 0.83 F2 (0.44) ALDH1A1LMNASMN1; SMN2EGFRMAPT
SCHEMBL14878116 0.81 F2 (0.55) F2
SCHEMBL14878177 0.79 F2 (0.43) ALDH1A1MAPTF2RAB9A
SCHEMBL14878156 0.79 F2 (0.52) F2
SCHEMBL8143174 0.78 F2 (0.41) ALDH1A1LMNASMN1; SMN2EGFRMAPT
SCHEMBL14878182 0.78 F2 (0.44) ALDH1A1MAPTF2TDP1L3MBTL1
SCHEMBL6069317 0.76 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2EGFRMAPT

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-8426433-B2 Anticoagulant compounds, pharmaceutical compositions on their basis to treat thrombotic conditions, and plasma-substituting solution to correct hypercoagulation defects of hemodilution Obschestvo S Ogranichennoi Otvetsttvennoctiyu “Bionika” (RU) 2013-04-23 — — US disclosed
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