SCHEMBL27926848

SCHEMBL27926848

[CH2]CCN(CC1CCCO1)CC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OXTR P30559 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ RORC P51449 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL5851303 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL15865805 0.76 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKDM4ERORC
SCHEMBL21127002 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPOLBTSHR
SCHEMBL9942344 0.74 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPOLBTSHR
SCHEMBL23969731 0.73 LMNA (0.47) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL1788380 0.72 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL65381 0.72 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPOLBTSHR
SCHEMBL12039810 0.72 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKDM4ERORC
SCHEMBL358547 0.72 — —
SCHEMBL2077523 0.71 — —

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
CN-101659728-B Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2014-08-13 — — CN disclosed
CN-103443191-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2013-12-11 — — CN disclosed
CN-103443189-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2013-12-11 — — CN disclosed
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