SCHEMBL6236404

SCHEMBL6236404

C[C@H](NCc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.53
NR1H4 Q96RI1 10/20 0.53
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
ESRRG P62508 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6235327 0.85 ALDH1A1 (0.58) EPHX2MEN1KMT2AITGB1ITGA5
SCHEMBL8890210 0.81 EPHX2 (0.48) EPHX2NR1H4RAB9ALMNAHDAC3
SCHEMBL13605103 0.81 NR1H4 (0.51) EPHX2NR1H4RAB9AHDAC3HDAC8
SCHEMBL7371223 0.81 CTSK (0.49) EPHX2NR1H4RAB9ALMNAHDAC3
SCHEMBL29176921 0.81 EPHX2 (0.49) EPHX2NR1H4RAB9ALMNAHDAC3
SCHEMBL8890216 0.81 EPHX2 (0.48) EPHX2NR1H4RAB9ALMNAHDAC3
SCHEMBL7371090 0.81 CTSK (0.49) EPHX2NR1H4RAB9ALMNAHDAC3
SCHEMBL6238643 0.81 SMN1; SMN2 (0.53) RAB9ALMNAMEN1KMT2AITGB1
SCHEMBL3556483 0.80 SIGMAR1 (0.55) MEN1KMT2AL3MBTL1
SCHEMBL497818 0.80 SIGMAR1 (0.55) MEN1KMT2AL3MBTL1

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