SCHEMBL27719983

SCHEMBL27719983

CCCCCCl.Cc1ccccc1C(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
NAAA Q02083 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
CYSLTR2 Q9NS75 4/20 0.37
CYSLTR1 Q9Y271 4/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
P2RX7 Q99572 1/20 0.37
PPARG P37231 3/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL168463 0.82 LMNA (0.52) ALDH1A1FABP4FABP5NPC1RAB9A
SCHEMBL168464 0.82 LMNA (0.52) ALDH1A1FABP4FABP5NPC1RAB9A
SCHEMBL538051 0.82 LMNA (0.52) ALDH1A1FABP4FABP5NPC1RAB9A
Mandelic Acid SCHEMBL28125625 0.81 LMNA (0.60) ALDH1A1NAAASMN1; SMN2NPC1JAK2
SCHEMBL28545652 0.81 LMNA (0.50) ALDH1A1FABP4FABP5NPC1RAB9A
1,2-Dichlorobenzene SCHEMBL27641832 0.78 FABP4 (0.46) ALDH1A1FABP4FABP5LMNAMAPK1
SCHEMBL28289563 0.76 LMNA (0.43) ALDH1A1NAAASMN1; SMN2NPC1JAK2
Toluic Acid SCHEMBL27323292 0.75 TSHR (0.46) ALDH1A1TP53SMN1; SMN2LMNAMAPK1
O-Xylene SCHEMBL28713896 0.75 TSHR (0.55) ALDH1A1TP53SMN1; SMN2NPC1JAK2
SCHEMBL6890650 0.74 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARGPPARA

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
CN-101307048-A Method for preparing lamivadin by stereoselectivity SHANGHAI DESANO PHARMACEUTICAL (CN) 2008-11-19 CN claimed