SCHEMBL6238643

SCHEMBL6238643

Cc1ccc(CN[C@@H](C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
FFAR1 O14842 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL497817 0.85 SIGMAR1 (0.55) MEN1KMT2ACD274ALDH1A1
SCHEMBL3556483 0.85 SIGMAR1 (0.55) MEN1KMT2ACD274ALDH1A1
SCHEMBL497818 0.85 SIGMAR1 (0.55) MEN1KMT2ACD274ALDH1A1
SCHEMBL28594958 0.84 MAPK1 (0.55) ITGB1ITGA5MEN1KMT2ALMNA
SCHEMBL4997012 0.84 ITGB1 (0.53) ITGB1ITGA5PDCD1CD274
SCHEMBL6241638 0.84 MAPK1 (0.55) ITGB1ITGA5MEN1KMT2ALMNA
SCHEMBL10098394 0.84 SCN9A (0.52) SMN1; SMN2ITGB1ITGA5
SCHEMBL6182184 0.84 TSHR (0.55) SMN1; SMN2ITGB1ITGA5MEN1KMT2A
SCHEMBL6239806 0.84 RAB9A (0.53) SMN1; SMN2ITGB1ITGA5MEN1KMT2A
Hydrochloric Acid SCHEMBL1026469 0.83 SIGMAR1 (0.53) MEN1KMT2ACD274ALDH1A1

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-1311259-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN ESTER OF 5-AMINOLEVULINIC ACID AS PHOTOCHEMOTHERAPEUTIC AGENT AND A MUCOADHESIVE AGENT PHOTOCURE ASA (NO) 2005-06-15 EP claimed