SCHEMBL20837429

SCHEMBL20837429

CCOCc1ccc(Oc2ccc(C)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.41
▸ MMP14 P50281 2/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACHE P22303 1/20 0.31

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
SCHEMBL18067923 0.83 TEAD4 (0.39) TEAD4TRPM8MAPTALDH1A1POLB
SCHEMBL17996069 0.78 MEN1 (0.41) TEAD4TRPM8MAPTALDH1A1POLB
SCHEMBL920992 0.78 TEAD4 (0.42) TEAD4MAPTALDH1A1POLBTDP1
SCHEMBL10599245 0.74 DPP4 (0.56) DPP4ALDH1A1SMN1; SMN2
SCHEMBL12508125 0.71 DPP4 (0.50) DPP4TRPM8MAPTALDH1A1MEN1
SCHEMBL509774 0.70 NPC1 (0.33) TEAD4MAPTALDH1A1POLBTDP1
SCHEMBL510274 0.70 PPARG (0.40) TEAD4TRPM8MAPTALDH1A1POLB
SCHEMBL10154897 0.69 DPP4 (0.51) DPP4MAPTALDH1A1POLBMEN1
SCHEMBL13067606 0.68 MAOA (0.38) MAPTALDH1A1TDP1KMT2ANPBWR1
SCHEMBL20391368 0.66 DPP4 (0.49) DPP4

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-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 — — EP disclosed
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