SCHEMBL9464737

SCHEMBL9464737

CC(C)C(NC(=O)c1ccccc1Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GPR139 Q6DWJ6 1/20 0.52
EGLN1 Q9GZT9 2/20 0.52
P2RX7 Q99572 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
CCR1 P32246 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9464741 1.00 POLB (0.53) POLBNPC1RAB9AGPR139EGLN1
SCHEMBL8297129 0.83 POLB (0.56) POLBNPC1RAB9AGPR139EGLN1
SCHEMBL34461718 0.83 LMNA (0.51) POLBEGLN1ALDH1A1SMN1; SMN2CA1
SCHEMBL21274872 0.82 ALDH1A1 (0.56) EGLN1ALDH1A1SMN1; SMN2THRBCA1
SCHEMBL21274871 0.82 ALDH1A1 (0.56) EGLN1ALDH1A1SMN1; SMN2THRBCA1
SCHEMBL24571488 0.81 POLB (0.58) POLBNPC1RAB9AGPR139P2RX7
SCHEMBL15271936 0.81 POLB (0.58) POLBNPC1RAB9AGPR139P2RX7
SCHEMBL5451054 0.81 POLB (0.62) POLBNPC1RAB9AGPR139P2RX7
SCHEMBL16235035 0.81 TRPA1 (0.56) POLBP2RX7ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9464914 0.81 ALDH1A1 (0.52) POLBNPC1RAB9AGPR139P2RX7

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
US-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 US disclosed