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SCHEMBL19975604

SCHEMBL19975604

CCOP(C)(=O)c1cc(C(=O)OCc2ccccc2)cc(CN2CCN(Cc3cc(C(=O)OCc4ccccc4)cc(P(C)(C)=O)n3)CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ACKR3 P25106 3/20 0.38
▸ P2RY12 Q9H244 2/20 0.38
▸ BACE1 P56817 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL19975597 0.91 PRMT1 (0.39) KDM4EALDH1A1KMT2AMAPTACKR3
SCHEMBL19975606 0.87 PRMT1 (0.39) KDM4EALDH1A1KMT2AMAPTP2RY12
SCHEMBL19975605 0.86 KDM5C (0.38) KDM4EALDH1A1KMT2AMAPK1
SCHEMBL26885980 0.82 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AACKR3P2RY12
SCHEMBL19975610 0.81 MAPT (0.35) KMT2AMEN1MAPTMAPK1
SCHEMBL19975614 0.81 ITGB3 (0.37) MAPTMAPK1
SCHEMBL26885909 0.80 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMAPTACKR3
SCHEMBL26886198 0.80 KDM5C (0.36) KDM4EALDH1A1MAPTP2RY12MAPK1
SCHEMBL19975615 0.79 MAPT (0.33) KMT2AMEN1MAPTMAPK1
SCHEMBL24384168 0.79 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AMAPTACKR3

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-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 — — US disclosed