SCHEMBL7447128

SCHEMBL7447128

Cc1ccc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
LMNA P02545 3/20 0.51
POLB P06746 3/20 0.49
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7443888 0.94 POLB (0.48) RAB9ALMNAPOLBHTTNPC1
SCHEMBL7439415 0.93 POLB (0.49) RAB9ALMNAPOLBGAAHTT
SCHEMBL7428136 0.92 POLB (0.48) RAB9ALMNAPOLBGAAHTT
SCHEMBL7435917 0.92 POLB (0.48) RAB9ALMNAPOLBHTTL3MBTL1
SCHEMBL7434360 0.92 POLB (0.59) RAB9ALMNAPOLBGAAHTT
SCHEMBL7446327 0.91 SMN1; SMN2 (0.52) RAB9APOLBGAAHTTL3MBTL1
SCHEMBL7433767 0.91 DRD4 (0.53) RAB9ANPC1ALDH1A1
SCHEMBL7434317 0.91 POLB (0.46) RAB9ALMNAPOLBGAAHTT
SCHEMBL7436573 0.91 HTT (0.47) RAB9ALMNAPOLBGAAHTT
SCHEMBL7439756 0.91 POLB (0.45) RAB9ALMNAPOLBL3MBTL1ALDH1A1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US claimed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed