SCHEMBL9378271

SCHEMBL9378271

COC(=O)CN(CC(=O)OC)c1ccc(C)cc1OCCOc1ccc(OCc2ccccc2)cc1N(CC(=O)OC)CC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
MAOB P27338 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
TSPO P30536 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9046522 0.92 ALDH1A1 (0.52) ALDH1A1TDP1MAOBMTNR1AMTNR1B
SCHEMBL9350376 0.91 TDP1 (0.46) ALDH1A1TDP1KDM4EKEAP1NFE2L2
SCHEMBL10618638 0.91 TDP1 (0.53) TDP1KDM4EKEAP1NFE2L2MAOB
SCHEMBL12280905 0.85 TDP1 (0.46) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL14654314 0.84 TDP1 (0.57) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL15267530 0.83 TDP1 (0.43) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL14654319 0.82 TDP1 (0.47) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL16519353 0.82 TDP1 (0.65) ALDH1A1TDP1KDM4EKEAP1NFE2L2
SCHEMBL16519356 0.82 TDP1 (0.65) ALDH1A1TDP1KDM4EKEAP1NFE2L2
SCHEMBL9350385 0.81 NR1H4 (0.38) ALDH1A1TDP1KEAP1NFE2L2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342891-B1 Fluorescent intracellular calcium indicators SMITHKLINE BEECHAM CORP (US) 1994-03-09 EP disclosed
EP-0342891-A1 Fluorescent intracellular calcium indicators SMITHKLINE BEECHAM CORPORATION (US) 1989-11-23 EP disclosed
US-4849362-A Fluorescent intracellular calcium indicators SMITHKLINE BECKMAN CORPORATION (US) 1989-07-18 US disclosed