SCHEMBL9350385

SCHEMBL9350385

CCOC(=O)CN(CC(=O)OCC)c1cc(OCc2ccccc2)ccc1OCCOc1cc(C)ccc1N(C(C=O)OCC)C(C=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
TSPO P30536 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 2/20 0.36
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
LTA4H P09960 1/20 0.35
PPARG P37231 4/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL9350376 0.89 TDP1 (0.46) NR1H4TSPOTDP1LMNAL3MBTL1
SCHEMBL9378271 0.81 ALDH1A1 (0.45) TSPOTDP1FFAR1KEAP1NFE2L2
SCHEMBL10618638 0.80 TDP1 (0.53) TSPOTDP1FFAR1KEAP1NFE2L2
SCHEMBL9046522 0.74 ALDH1A1 (0.52) TDP1ALDH1A1MAOB
SCHEMBL9839970 0.69 TDP1 (0.40) TSPOTDP1KEAP1NFE2L2PTGER1
SCHEMBL9353967 0.68 TDP1 (0.51) TDP1PPARGKMT2AALDH1A1
SCHEMBL10820991 0.67 TDP1 (0.48) TDP1LMNAL3MBTL1KEAP1NFE2L2
SCHEMBL15257598 0.67 TDP1 (0.60) TDP1LMNAL3MBTL1LTA4HPPARG
SCHEMBL29535405 0.66 TDP1 (0.74) TDP1LMNAL3MBTL1LTA4HPPARG
SCHEMBL12280905 0.66 TDP1 (0.46) TDP1LMNAL3MBTL1MEN1HSP90AA1

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
EP-0314480-B1 Fluorescent indicator dyes for calcium working at long wavelengths UNIV CALIFORNIA (US) 1994-09-14 EP disclosed
US-5049673-A Fluorescent indicator dyes for calcium working at long wavelengths THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-17 US disclosed