SCHEMBL11246804

SCHEMBL11246804

CC(OCCCN)C(C)OCCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.43
DNM1 Q05193 5/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20825580 0.89 ODC1 (0.39) ODC1DNM1CYP3A4NFKB1
SCHEMBL3318731 0.82 ODC1 (0.43) ODC1DNM1CYP3A4NFKB1CA12
SCHEMBL278465 0.82
SCHEMBL25769700 0.81 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL3267239 0.80
SCHEMBL11548036 0.80
SCHEMBL17534842 0.79 CYP3A4 (0.43) ODC1CYP3A4
SCHEMBL16767870 0.78 ODC1 (0.39) ODC1DNM1CYP3A4NFKB1
SCHEMBL16767876 0.78 ODC1 (0.39) ODC1DNM1CYP3A4NFKB1LMNA
SCHEMBL9153427 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961488-B Process for preparing thermoplastic elastomer foam and foamed articles 耐克创新有限合伙公司 2022-11-15 CN disclosed
US-4328331-A Novel polyester-amides THE UPJOHN COMPANY (US) 1982-05-04 US disclosed