SCHEMBL22282993

SCHEMBL22282993

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.70
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
CA7 P43166 4/20 0.70
CA9 Q16790 4/20 0.70
CA14 Q9ULX7 4/20 0.70
PDCD1 Q15116 1/20 0.63
CD274 Q9NZQ7 1/20 0.63
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
ALDH1A1 P00352 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50

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
SCHEMBL701832 0.91 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL27668240 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27667911 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27667912 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27955902 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL28761675 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27667932 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27667925 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27647565 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL4122707 0.86 NPC1 (0.63) CA12CA1CA2CA7CA9

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
EP-3687512-A1 AGENTS INHIBITING TCTP PROTEIN FOR THE TREATMENT OF PROLIFERATIVE DISEASES, INFECTIOUS DISEASES, ALLERGIES, INFLAMMATIONS AND/OR ASTHMA Universite Paris-Sud (FR) 2020-08-05 EP disclosed