SCHEMBL157237

SCHEMBL157237

CC(C)Oc1ccc([NH])cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACLY P53396 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CASR P41180 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ CSNK2A1 P68400 2/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL158165 0.81 GSK3B (0.46) POLBMAPTALDH1A1LMNAKMT2A
SCHEMBL157238 0.80 RAPGEF4 (0.44) POLBMAPTALDH1A1KMT2AIRAK4
SCHEMBL152783 0.80 ALDH1A1 (0.41) MAPTALDH1A1CASR
SCHEMBL156539 0.78 KMT2A (0.33) POLBMAPTALDH1A1LMNAKMT2A
SCHEMBL17365983 0.78 ALDH1A1 (0.49) POLBRORCMAPTALDH1A1LMNA
SCHEMBL157769 0.74 FABP3 (0.43) ALDH1A1LMNAACHE
SCHEMBL156094 0.73 S1PR3 (0.46) LMNAKMT2A
SCHEMBL4646830 0.72 CA12 (0.47) MAPTALDH1A1LMNAKMT2ACYP2C19
SCHEMBL156473 0.71 S1PR3 (0.53) MAPTALDH1A1LMNAKMT2AIRAK4
SCHEMBL156325 0.71 POLB (0.43) POLBMAPTALDH1A1LMNAKMT2A

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-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 — — US disclosed
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