SCHEMBL382089

SCHEMBL382089

COC(=O)c1ccc(N2CCC(OS(C)(=O)=O)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 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
SCHEMBL383646 0.87 MAPT (0.52) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL383256 0.86 ALDH1A1 (0.51) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL383205 0.85 MAPT (0.57) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL6505327 0.84 KDM4E (0.48) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL12643734 0.83 MAPT (0.72) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL28026768 0.83 MEN1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL38659323 0.82 MAPT (0.60) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL6597425 0.76 ALDH1A1 (0.56) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL6273824 0.76 NPC1 (0.52) MAPTALDH1A1NPC1KDM4ERAB9A
SCHEMBL382523 0.75 MAPT (0.41) MAPTALDH1A1NPC1KDM4ERAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
CN-1303377-A Amino piperidine derivatives as integrin alpha beta 3 antagonists MEIJI SEIKA KAISHA (JP) 2001-07-11 CN disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed