SCHEMBL7738508

SCHEMBL7738508

CCCCOC(=O)N(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
ABCB1 P08183 1/20 0.42
CTRB1 P17538 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CETP P11597 3/20 0.39

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
SCHEMBL9307089 0.88 CTRB1 (0.49) TDP1L3MBTL1ALDH1A1MAPK1ITGB3
SCHEMBL3826716 0.86 ALDH1A1 (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL11123918 0.84 ALPI (0.44) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9748132 0.84 L3MBTL1 (0.43) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL8710842 0.83 ITGB3 (0.53) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL18076338 0.81 TPSAB1 (0.47) L3MBTL1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL9190944 0.80 ALDH1A1 (0.59) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL22804098 0.80 ALDH1A1 (0.46) ALDH1A1ITGB3ITGA2BABCB1CTRB1
SCHEMBL22804079 0.80 ALDH1A1 (0.46) ALDH1A1ITGB3ITGA2BABCB1CTRB1
SCHEMBL31435383 0.79 CTRC (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879063-A4 PREPARATION AND USE OF MAGNETICALLY SUSCEPTIBLE POLYMER PARTICLES IGEN INC (US) 2001-12-12 EP disclosed
EP-0879063-A1 PREPARATION AND USE OF MAGNETICALLY SUSCEPTIBLE POLYMER PARTICLES IGEN, INC. (US) 1998-11-25 EP disclosed
WO-1997022366-A1 PREPARATION AND USE OF MAGNETICALLY SUSCEPTIBLE POLYMER PARTICLES IGEN, INC. (US) 1997-06-26 WO disclosed