SCHEMBL7867682

SCHEMBL7867682

CC1(C)CC(O)c2cc(C(=O)O)c(C(=O)O)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CFTR P13569 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1B1 P15121 1/20 0.31
POLB P06746 1/20 0.31
MGAM O43451 1/20 0.30

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
SCHEMBL3456479 0.79 MEN1 (0.51) TLR3MEN1KMT2AMAPTALDH1A1
SCHEMBL10509687 0.77 TLR3 (0.45) TLR3MEN1KMT2ACNR1CNR2
SCHEMBL9091707 0.73 TLR3 (0.43) TLR3MEN1KMT2ATRPV1CNR1
SCHEMBL13090968 0.71 KMT2A (0.46) TLR3MEN1KMT2ATRPV1CNR1
SCHEMBL11037376 0.71 KDM4E (0.46) TLR3MEN1KMT2ACNR1CNR2
SCHEMBL7608955 0.71 MAPT (0.46) TLR3MEN1KMT2ACNR1CNR2
SCHEMBL3318159 0.70 CFTR (0.46) TLR3TRPV1CFTRAKR1B1
SCHEMBL3319434 0.70 KCNE1 (0.44) TLR3MEN1KMT2ATRPV1CFTR
SCHEMBL31085042 0.70 TRPV1 (0.43) TLR3MEN1KMT2ATRPV1CNR1
SCHEMBL3318162 0.70 CFTR (0.46) TLR3TRPV1CFTRAKR1B1

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-0571822-B1 Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 2001-08-16 EP disclosed
US-5418232-A Hypotensive, increases renal blood flow DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-23 US disclosed
EP-0571822-A1 Diazabicycloalkene derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-12-01 EP disclosed