SCHEMBL3943591

SCHEMBL3943591

COc1cccc2[nH]cc(C(=O)C(=O)N(CC(=O)O)[C@@H](C(=O)NC3CCCCC3)C3CCCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
YAP1 P46937 2/20 0.37
TEAD4 Q15561 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BLM P54132 1/20 0.37
ATM Q13315 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
UBLCP1 Q8WVY7 1/20 0.36
TP53 P04637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 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
SCHEMBL4031103 0.87 RAB9A (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4347407 0.85 ALDH1A1 (0.40) RAB9ANPC1TSHRSMN1; SMN2L3MBTL1
SCHEMBL3941454 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3943978 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3942490 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3944015 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4197663 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3941856 0.82 MAPT (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3941764 0.82 MAPT (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4130491 0.82 HTR4 (0.49) RAB9ANPC1TSHRSMN1; SMN2L3MBTL1

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-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed