SCHEMBL8551628

SCHEMBL8551628

ClCc1ccccc1OCCCCCOc1ccccc1CCl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
PTK2B Q14289 1/20 0.44
HRH1 P35367 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL19896311 0.91 MAPT (0.51) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL5805893 0.91 MAPT (0.51) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL4309191 0.88 KCNA3 (0.59) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL7885446 0.87 L3MBTL1 (0.46) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL6427364 0.86 CYP1A2 (0.56) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL8317233 0.85 DRD2 (0.50) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL3083050 0.84 L3MBTL1 (0.50) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL19175412 0.83 ALDH1A1 (0.47) L3MBTL1TP53MAPTNPSR1LMNA
SCHEMBL7562011 0.83 MAPT (0.52) L3MBTL1CYP1A2CYP2C9TSHRMAPT
SCHEMBL19167176 0.82 L3MBTL1 (0.50) L3MBTL1TP53CYP1A2CYP3A4CYP2C9

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
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed