SCHEMBL27747579

SCHEMBL27747579

CCCCOC(=O)C(N)CC(Cc1ccccc1)C(=O)OC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.46
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CTSK P43235 5/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ RNPEP Q9H4A4 1/20 0.40
▸ DNPEP Q9ULA0 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL28051028 0.82 SLC1A1 (0.68) SLC1A1SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL216480 0.81 ALPI (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL2734875 0.81 ALPI (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5281599 0.80 ALPI (0.53) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL216479 0.80 ALPI (0.53) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL17077436 0.77 ALPI (0.53) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL299866 0.77 ALPI (0.53) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL23859871 0.76 TYR (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL25180576 0.76 TYR (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL25200654 0.76 TYR (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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
CN-101489564-A Antiviral phosphinate compounds GILEAD SCIENCES INC (US) 2009-07-22 — — CN disclosed
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