SCHEMBL19646384

SCHEMBL19646384

CC(=O)NC1C(OCCCCCCN)OC(COC(C)=O)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ SSTR3 P32745 9/20 0.54
▸ SSTR5 P35346 9/20 0.54
▸ SSTR2 P30874 8/20 0.54
▸ SSTR4 P31391 8/20 0.54
▸ SSTR1 P30872 6/20 0.54
▸ LMNA P02545 3/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TACR1 P25103 2/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.42

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
SCHEMBL8831093 0.86 POLB (0.60) POLBLMNAKMT2ACYP3A4MAPT
SCHEMBL17167535 0.84 SSTR5 (0.48) POLBSSTR3SSTR5SSTR2SSTR4
SCHEMBL23069352 0.84 LMNA (0.66) POLBSSTR3SSTR5SSTR2SSTR4
SCHEMBL18879529 0.84 LMNA (0.66) POLBSSTR3SSTR5SSTR2SSTR4
SCHEMBL23243950 0.84 LMNA (0.66) POLBSSTR3SSTR5SSTR2SSTR4
SCHEMBL29583989 0.84 LMNA (0.66) POLBSSTR3SSTR5SSTR2SSTR4
SCHEMBL29583980 0.83 LMNA (0.67) POLBLMNAKMT2ACYP3A4MAPT
SCHEMBL19448820 0.83 LMNA (0.67) POLBLMNAKMT2ACYP3A4MAPT
SCHEMBL17326724 0.81 CYP3A4 (0.57) POLBLMNAKMT2ACYP3A4MAPT
SCHEMBL24130618 0.81 CYP3A4 (0.57) POLBLMNAKMT2ACYP3A4MAPT

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-9828341-B2 Dendritic core compounds VICTORIA LINK LIMITED (NZ) 2017-11-28 — — US disclosed
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