SCHEMBL6624634

SCHEMBL6624634

CC(Nc1ccc(N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 9/20 0.56
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
EPHX1 P07099 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
ALOX12 P18054 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL6624638 1.00 ALDH1A1 (0.58) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL6625930 0.84 MAPT (0.46) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL6625925 0.84 MAPT (0.46) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL6625138 0.83 MAPT (0.42) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL28750028 0.82 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL28750029 0.82 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL6627575 0.81 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL6627579 0.81 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL9911350 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL483951 0.80 HTT (0.55) ALDH1A1MAPTLMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed
EP-1373219-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-01-02 EP disclosed
WO-2002081453-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER SA (FR) 2002-10-17 WO disclosed