SCHEMBL28429798

SCHEMBL28429798

Cc1ccc(SCCC(C)Sc2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL28433531 0.89 HPGD (0.44) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL1454071 0.82 ALDH1A1 (0.54) NPC1RAB9AALDH1A1MAOAMAOB
SCHEMBL21713291 0.82 MAOA (0.53) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL9770201 0.80 MAOA (0.41) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL28437615 0.78 HPGD (0.44) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL22019596 0.77 HPGD (0.46) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL11758121 0.77 HPGD (0.42) HPGDALDH1A1MAPTUSP2CYP1A2
SCHEMBL5168911 0.76 NPC1 (0.65) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL1455294 0.76 HPGD (0.38) HPGDALDH1A1MAPTUSP2CYP1A2
SCHEMBL26023546 0.74 HPGD (0.47) HPGDNPC1RAB9AALDH1A1MAPT

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