SCHEMBL4328756

SCHEMBL4328756

C[C@@H](Cc1ccc(O)cc1C(=O)O)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
MYC P01106 1/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL4327258 0.87 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4336831 0.82 HPGD (0.44) ALDH1A1MEN1KMT2AHTTRAB9A
Hydrochloric Acid SCHEMBL4333945 0.81 HPGD (0.44) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL1578291 0.80 EGFR (0.37) CA12CA1CA2CA7CA9
SCHEMBL313991 0.80 BLM (0.49) CA12CA1CA2CA7CA9
SCHEMBL7312913 0.80 BLM (0.49) CA12CA1CA2CA7CA9
SCHEMBL4333892 0.80 NPC1 (0.49) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL1578073 0.78 POLB (0.41) MAPTMEN1KMT2ATSHR
SCHEMBL1995440 0.75 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL8729705 0.74 NPC1 (0.58) RAB9ALMNANPC1

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
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed