SCHEMBL28039008

SCHEMBL28039008

CCc1ccc(CCC(=O)CCc2ccc(CC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IAPP P10997 3/20 0.53
ALDH1A1 P00352 2/20 0.52
F2RL1 P55085 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLK1 P53350 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MMP12 P39900 1/20 0.46
FFAR1 O14842 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL13267781 0.91 IAPP (0.61) IAPPALDH1A1F2RL1TAAR1BCHE
SCHEMBL11398682 0.86 HSD17B10 (0.48) IAPPALDH1A1TAAR1TDP1PLK1
SCHEMBL28238496 0.86 IAPP (0.58) IAPPALDH1A1F2RL1BCHEACHE
SCHEMBL4021741 0.86 F2RL1 (0.53) IAPPALDH1A1F2RL1TAAR1TDP1
SCHEMBL13535447 0.84 F2RL1 (0.51) IAPPALDH1A1F2RL1TAAR1TDP1
SCHEMBL11810491 0.84 ALDH1A1 (0.50) IAPPALDH1A1F2RL1TAAR1L3MBTL1
SCHEMBL1206896 0.84 FFAR1 (0.65) ALDH1A1L3MBTL1FFAR1
SCHEMBL11444235 0.84 ALDH1A1 (0.65) IAPPALDH1A1F2RL1TAAR1L3MBTL1
SCHEMBL608891 0.82 ALDH1A1 (0.57) ALDH1A1TAAR1L3MBTL1PLK1CYP4F2
SCHEMBL30799017 0.82 ALDH1A1 (0.48) ALDH1A1F2RL1TAAR1L3MBTL1PLK1

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-113388075-A Composition for 3D printing, 3D printing method and device 珠海赛纳三维科技有限公司 2021-09-14 CN disclosed
CN-105164125-B 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives 豪夫迈·罗氏有限公司 2017-10-13 CN disclosed
CN-105164125-A 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives HOFFMANN LA ROCHE 2015-12-16 CN disclosed
CN-101448798-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-06-03 CN disclosed