SCHEMBL28429142

SCHEMBL28429142

CC(CCCSc1ccccc1)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 1/20 0.50
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL1454071 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL28433531 0.84 HPGD (0.44) ALDH1A1MAOAMAOBPOLBDRD2
SCHEMBL1497108 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL1455005 0.81 PPARG (0.43) ALDH1A1MAOAMAOBPOLBSMN1; SMN2
SCHEMBL1455081 0.79 LMNA (0.42) ALDH1A1MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL1454798 0.78 CSNK1E (0.41) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL1455367 0.78 CSNK1E (0.41) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL1454448 0.78 CSNK1E (0.41) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL11404752 0.78 CSNK1E (0.41) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL1454262 0.76 MAOA (0.35) ALDH1A1MAPK1MAOAMAOBSMN1; SMN2

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-112535277-A Oligosaccharide composition used as food ingredient and its preparation method 卡德纳生物股份有限公司 2021-03-23 CN disclosed
CN-112515178-A Oligosaccharide composition for nutritional composition and method for producing the same 卡德纳生物股份有限公司 2021-03-19 CN disclosed
CN-111471117-A Oligosaccharide composition and preparation method thereof 卡德纳生物有限公司 2020-07-31 CN disclosed