SCHEMBL29958508

SCHEMBL29958508

CC(C)COC(=O)c1ccc2c3ccc(C(=O)OCC(C)C)c4c(O)ccc(c5ccc(O)c1c52)c43

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37

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
SCHEMBL28853665 1.00 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL29958420 1.00 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL28853620 1.00 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL28853666 0.94 ALDH1A1 (0.50) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL28853624 0.94 ALDH1A1 (0.50) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL19167892 0.90 ALDH1A1 (0.62) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL29958486 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL29261034 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL28853628 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL30825021 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124854-B Production method of C.I. solvent green 5 and its series derivative and intermediate 鞍山市五色石新材料科技有限公司 2024-04-26 CN disclosed
CN-115124854-A Production method of C.I. solvent green 5 and series derivatives and intermediates thereof 鞍山市五色石新材料科技有限公司 2022-09-30 CN disclosed