SCHEMBL7849136

SCHEMBL7849136

CCCOc1c[c]cc(OCCC)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CSNK2A1 P68400 2/20 0.33

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
SCHEMBL7836633 0.82 TSHR (0.36) LTA4HMAPTMEN1KMT2AKDM4E
SCHEMBL5173758 0.80 ESR1 (0.42) LTA4HMAPTMEN1KMT2AALDH1A1
SCHEMBL6627059 0.80 ALDH1A1 (0.37) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL27458021 0.76 MAPT (0.40) LTA4HMAPTTP53MEN1KMT2A
SCHEMBL4961982 0.76 MCHR1 (0.47) LTA4HMAPTTP53MEN1KMT2A
SCHEMBL29200144 0.74 ELANE (0.41) LTA4HMAPTTP53MEN1KMT2A
SCHEMBL7305599 0.74 LTA4H (0.47) LTA4HMAPTTP53MEN1KMT2A
SCHEMBL4887689 0.74 L3MBTL1 (0.33) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL29200149 0.72 PTGS2 (0.42) LTA4HMAPTTP53MEN1KMT2A
SCHEMBL687572 0.72 MAPT (0.39) LTA4HMAPTTP53MEN1KMT2A

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-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
CN-1046730-C Pyrazolo [1,5-a ] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 1999-11-24 CN disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
CN-1131948-A Pyrazolo [1, 5-a ] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-25 CN disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed