SCHEMBL28048427

SCHEMBL28048427

C=C(C)C(=O)OC(CCN)(CC1CCCO1)CC1CCCO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL28059702 0.86 ALDH1A1 (0.47) ALDH1A1
SCHEMBL17511703 0.77 ALDH1A1 (0.38) ALDH1A1HPGDALOX12KMT2ASMN1; SMN2
SCHEMBL27926870 0.76 KMT2A (0.35) ALDH1A1HPGDTP53ALOX12KMT2A
SCHEMBL21299992 0.72 LMNA (0.38) ALDH1A1HPGDTP53ALOX12SMN1; SMN2
SCHEMBL11146383 0.72 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL27887633 0.72 ALDH1A1 (0.47) ALDH1A1HPGDTP53ALOX12KMT2A
SCHEMBL27848264 0.71 ALDH1A1 (0.67) ALDH1A1TP53KMT2ALMNAPOLB
SCHEMBL36133 0.71 ALDH1A1 (0.67) ALDH1A1TP53KMT2ALMNAPOLB
SCHEMBL27926868 0.70 LMNA (0.41) ALDH1A1HPGDTP53ALOX12KMT2A
SCHEMBL28309955 0.70 ALDH1A1 (0.65) ALDH1A1TP53KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105722909-B Pneumatic tire 住友橡胶工业株式会社 2018-04-06 CN disclosed
CN-105722909-A Pneumatic tire 住友橡胶工业株式会社 2016-06-29 CN disclosed
CN-102604177-B Rubber combination and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-03-02 CN disclosed
CN-103502345-B Rubber combination and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-01-20 CN disclosed