SCHEMBL28072116

SCHEMBL28072116

NCCN1CCCCC1C=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 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
SCHEMBL27872672 0.98 CHRM2 (0.30) ALOX15
SCHEMBL27855978 0.94 ALOX15 (0.32) ALOX15
SCHEMBL28258733 0.83
SCHEMBL28078720 0.82 KEAP1 (0.31)
SCHEMBL28118656 0.80
SCHEMBL1299354 0.80 KCNK3 (0.39)
SCHEMBL2560949 0.80 HTT (0.34)
SCHEMBL7297647 0.80
SCHEMBL2557029 0.78 L3MBTL1 (0.47)
SCHEMBL2552232 0.77 OPRD1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103339141-B C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors 百时美施贵宝公司 2016-08-24 CN disclosed
CN-102307872-B BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-06-15 CN disclosed
CN-103429607-B There is the triterpenoid that C-17 and C-3 of HIV maturation inhibit activities is modified BRISTOL-MYERS SQUIBB CO. (US) 2016-02-17 CN disclosed
CN-102485721-B 2,3-benzodiazine ketone compound replaced and uses thereof CAO YA (CN) 2015-12-09 CN disclosed
CN-102947285-B Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBVIE (US) 2015-08-26 CN disclosed
CN-103429607-A C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL MYERS SQUIBB CO 2013-12-04 CN disclosed
CN-103339141-A C-28 amines of c-3 modified betulinic acid derivatives as hiv maturation inhibitors BRISTOL MYERS SQUIBB CO 2013-10-02 CN disclosed
CN-102947285-A Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBOTT LAB 2013-02-27 CN disclosed
CN-102307872-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBOTT LAB 2012-01-04 CN disclosed