SCHEMBL29291122

SCHEMBL29291122

Cc1ccccc1-c1cc(C(C)(C)C)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 4/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
PLA2G1B P04054 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 1/20 0.34
CCR4 P51679 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 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
SCHEMBL28254059 0.82 HSD17B1 (0.40) RAB9AALDH1A1NPC1CASP3SENP8
SCHEMBL9336615 0.76 HSD17B1 (0.43) RAB9ANPC1MAPTMEN1CYP3A4
SCHEMBL16012707 0.74 HPGD (0.39) RAB9AALDH1A1NPC1CASP3SENP8
SCHEMBL28087582 0.73 HSD17B1 (0.42) RAB9AALDH1A1NPC1L3MBTL1HPGD
SCHEMBL28358836 0.71 CNR1 (0.41) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL28358762 0.70 KCNH2 (0.39) RAB9AALDH1A1NPC1CASP3SENP8
SCHEMBL28014367 0.70 HPGD (0.39) RAB9AALDH1A1NPC1CASP3SENP8
SCHEMBL5680763 0.69 ALDH1A1 (0.55) RAB9AALDH1A1NPC1CASP3SENP8
SCHEMBL26781842 0.69 KIF11 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19ACHE
SCHEMBL12529414 0.69 CNR1 (0.38) RAB9AALDH1A1NPC1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683650-A Preparation method of beta-D- (1,4) -mannuronic acid oligosaccharide and intermediate thereof 绿谷(上海)医药科技有限公司 2021-11-23 CN disclosed