SCHEMBL4018140

SCHEMBL4018140

C=C(C(=O)OC)C(O)(C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CES1 P23141 1/20 0.40

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
SCHEMBL10606364 0.79 KCNN4 (0.50) MAPTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL2795435 0.73 CYP2C9 (0.55) MAPTNPC1RAB9AALOX15ALDH1A1
SCHEMBL2327512 0.73 CA1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL5144776 0.73 CA1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL4232572 0.73 CA1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL10813846 0.72 CA1 (0.53) MAPTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL1371089 0.72 MAPT (0.51) MAPTNPC1RAB9AALOX15ALDH1A1
SCHEMBL6404526 0.72 MAPT (0.51) MAPTNPC1RAB9AALOX15ALDH1A1
SCHEMBL1507665 0.71 CA1 (0.54) MAPTNPC1RAB9ASMN1; SMN2ALOX15
Bromomethane SCHEMBL3169542 0.70 CYP2C9 (0.52) MAPTRAB9AALOX15ALDH1A1LMNA

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
WO-2009092293-A1 PYROLLIDINE-BASED COMPOUNDS SHANGHAI TARGETDRUG CO., LTD. (CN) 2009-07-30 — — WO disclosed
WO-2009089659-A1 PYROLLIDINE-BASED COMPOUNDS SHANGHAI TARGETDRUG CO., LTD. (CN) 2009-07-23 — — WO disclosed
Send feedback