SCHEMBL6583776

SCHEMBL6583776

[CH2]c1ccc(OCCC)c(OCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
CSNK2A1 P68400 2/20 0.43
HPGD P15428 3/20 0.40
GPR55 Q9Y2T6 1/20 0.38
TLR8 Q9NR97 1/20 0.38
BIRC5 O15392 1/20 0.38
PKM P14618 1/20 0.36

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
SCHEMBL11320414 0.90 PDE4A (0.46) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL5914872 0.90 CYP1A2 (0.44) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL5049785 0.86 SMPD1 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL27998903 0.86 SMPD1 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL309719 0.83 KDM4E (0.46) MAPTHSD17B10KDM4EALDH1A1POLB
SCHEMBL3401420 0.82 FDPS (0.41) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL9117605 0.81 PRKCE (0.46) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL1066757 0.80 THRA (0.49) ALDH1A1MEN1KMT2A
SCHEMBL9116570 0.78 THRA (0.51) ALDH1A1
SCHEMBL27720039 0.77 CYP1A2 (0.41) MAPTKDM4EALDH1A1POLBMEN1

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
US-4308273-A 1,6-Naphthyridine derivatives, and antidinic and cerebral circulation improver containing such derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-12-29 US claimed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed
US-4308273-A 1,6-Naphthyridine derivatives, and antidinic and cerebral circulation improver containing such derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-12-29 US disclosed
US-4105668-A 6-AMINO-2,2-DIMETHYL-3-(1 -SUBSTITUTED TETRAZOL-5-YL)PENAM COMPOUND REACTED WITH HYDROGEN FLUORIDE PFIZER INC. (US) 1978-08-08 US disclosed