SCHEMBL8030934

SCHEMBL8030934

O=C(CN1CCOCC1)N1CCN(CCNCC2CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.46
GAA P10253 3/20 0.43
EPHX1 P07099 1/20 0.43
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8046130 0.85 ALDH1A1 (0.50) TSHRALDH1A1GAAEPHX1
SCHEMBL8045590 0.81 HSD11B1 (0.44) TSHRHSD17B10ALDH1A1KDM4EGAA
SCHEMBL23423425 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EGAAEPHX1
SCHEMBL3780624 0.78 ALOX15 (0.63) TSHRALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL8041290 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EGAAEPHX1LMNA
SCHEMBL8045110 0.76 SIGMAR1 (0.57) TSHRALDH1A1EPHX1LMNAHSD11B1
SCHEMBL31717947 0.74 HSD17B10 (1.00) TSHRALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL7389458 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNA
SCHEMBL3774303 0.74 ALDH1A1 (0.76) TSHRALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL8044995 0.73 CHRM5 (0.48)

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
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed