SCHEMBL13928744

SCHEMBL13928744

Cc1cc(OCC(=O)N(C)C2CCN(CC(O)Oc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ CCR5 P51681 9/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL4218435 0.88 POLB (0.46) POLBCCR5KDM4EALDH1A1
SCHEMBL4208779 0.86 POLB (0.44) POLBCCR5MEN1KMT2ANPC1
SCHEMBL4212217 0.85 POLB (0.44) POLBCCR5MEN1KMT2ANPC1
SCHEMBL4218431 0.82 POLB (0.47) POLBCCR5MEN1KMT2ANPC1
SCHEMBL4204989 0.82 OPRM1 (0.49) POLBSIGMAR1
SCHEMBL4208778 0.81 POLB (0.46) POLBCCR5KDM4EMEN1KMT2A
SCHEMBL13928734 0.81 POLB (0.46) POLBCCR5KDM4EMEN1KMT2A
SCHEMBL4199704 0.80 POLB (0.45) POLBMEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL4199707 0.80 POLB (0.45) POLBMEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL4212200 0.80 KCNA5 (0.46) POLBMEN1KMT2ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
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