SCHEMBL5307487

SCHEMBL5307487

Cc1ccc(C(CO)CNC(=O)O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP24A1 Q07973 1/20 0.35
CASR P41180 1/20 0.35

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
SCHEMBL6280523 0.78 MTNR1A (0.51) SMN1; SMN2CYP2D6KMT2ANPC1RAB9A
SCHEMBL6002859 0.73 TRPA1 (0.39) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5315794 0.72 GAA (0.43) ALDH1A1KMT2AMEN1TDP1GAA
SCHEMBL3447470 0.72 MEN1 (0.47) POLBALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL29800293 0.71 ALDH1A1 (0.41) POLBSLC6A3ALDH1A1TP53
SCHEMBL28830537 0.71 ALDH1A1 (0.41) POLBSLC6A3ALDH1A1TP53
SCHEMBL28830535 0.71 ALDH1A1 (0.41) POLBSLC6A3ALDH1A1TP53
SCHEMBL14823515 0.68 APP (0.35) SLC6A3SMN1; SMN2NPC1TDP1
SCHEMBL7046825 0.68 MCHR1 (0.44) POLBSLC6A3ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL5866353 0.68 MCHR1 (0.44) POLBSLC6A3ALDH1A1SMN1; SMN2CYP2D6

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-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO disclosed
WO-2003027064-A1 SIMPLIFIED RESINIFERATOXIN ANALOGUES AS VANILLOID RECEPTOR AGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL CO MPOSITIONS CONTAINING THE SAME DIGITAL BIOTECH CO. LTD,. (KR) 2003-04-03 WO disclosed