SCHEMBL3268541

SCHEMBL3268541

CCC(C)(C)C(=O)OCc1ccc(COC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RIPK1 Q13546 6/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ELANE P08246 1/20 0.34
OPRK1 P41145 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SYK P43405 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL12431959 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1RIPK1NPC1
SCHEMBL12733146 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1RIPK1NPC1
SCHEMBL2742136 0.86 MEN1 (0.50) ALDH1A1KMT2AMEN1ELANECA1
SCHEMBL12116550 0.85 HPGD (0.46) ALDH1A1NPC1RAB9ACA1CA2
SCHEMBL10159813 0.85 PPARG (0.44) ALDH1A1KMT2AMEN1RIPK1NPC1
SCHEMBL12419179 0.83 OPRK1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1OPRK1
SCHEMBL19420320 0.83 PPIB (0.42) ALDH1A1KMT2AMEN1RIPK1NPC1
SCHEMBL12419178 0.83 KDM4E (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL19420321 0.83 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1RIPK1NPC1
SCHEMBL13296164 0.83 APP (0.41) ALDH1A1KMT2AMEN1RIPK1

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-20120004361-A1 POLYURETHANE RESIN AQUEOUS DISPERSION AND MANUFACTURING METHOD THEREOF UBE INDUSTRIES, LTD. (JP) 2012-01-05 US disclosed