SCHEMBL7137362

SCHEMBL7137362

O=C(c1ccccc1-c1ccc(OC2CCCCO2)cc1)C(O)OC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TNK2 Q07912 3/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ACP1 P24666 1/20 0.34
SLC6A3 Q01959 2/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
BRS3 P32247 1/20 0.32

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
SCHEMBL24581535 0.72 TNK2 (0.37) MEN1KMT2ATNK2ITGB1ITGA4
SCHEMBL28503 0.72 MEN1 (0.38) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL3500438 0.71 TNK2 (0.44) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1531846 0.70 MEN1 (0.61) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11767308 0.70 ELANE (0.52) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL739210 0.69 DHFR (0.45) MEN1KMT2AALDH1A1SMN1; SMN2TNK2
SCHEMBL7860591 0.69 MEN1 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL217929 0.69 TNK2 (0.43) MEN1KMT2AALDH1A1TNK2ACP1
SCHEMBL20032688 0.69 MEN1 (0.40) MEN1KMT2ATNK2SLC6A3
SCHEMBL1186911 0.69 MEN1 (0.52) MEN1KMT2ALMNASMN1; SMN2TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670346-B1 Treatment and/or inhibition of the development of osteoporosis, breast cancer, hypercholesterolemia, hyperlipidemia or atherosclerosis in susceptible warm-blooded animals including humans, administering selective estrogen ENDORECHERCHE, INC. (CA) 2003-12-30 US disclosed