SCHEMBL7977154

SCHEMBL7977154

CCOC(C)OC1C(=O)N(C(=S)Nc2ccccc2)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 8/20 0.36
NPY2R P49146 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 1/20 0.32

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
SCHEMBL5963517 1.00 ELANE (0.40) ELANEKDM4EALDH1A1NPY2RL3MBTL1
SCHEMBL5964258 0.88 ELANE (0.43) ELANEALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28495663 0.83 ELANE (0.49) ELANEKDM4EGAASMN1; SMN2MEN1
SCHEMBL7772609 0.82 ELANE (0.47) ELANEKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL5964086 0.82 ELANE (0.49) ELANEKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7778743 0.81 ELANE (0.45) ELANEKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7729786 0.81 ELANE (0.47) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL5963742 0.80 ELANE (0.44) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL5887440 0.80 ELANE (0.46) ELANEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7732985 0.80 ELANE (0.46) ELANEKDM4EL3MBTL1GAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218553-B1 METALLIZATION BY REACTING A BACCATIN III DERIVATIVE WITH A METAL ALKYLDISILAZIDE THE STATE UNIVERSITY OF NEW YORK AT STONY BROOK 2001-04-17 US disclosed