SCHEMBL9046522

SCHEMBL9046522

COC(=O)CN(CC(=O)OC)c1cc(OCc2ccccc2)ccc1OCCOc1ccc(OCc2ccccc2)cc1N(CC(=O)OC)CC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAOB P27338 4/20 0.46
MTNR1B P49286 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MTNR1A P48039 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PTPN1 P18031 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL9378271 0.92 ALDH1A1 (0.45) ALDH1A1MAOBMTNR1BTDP1MTNR1A
SCHEMBL9350376 0.82 TDP1 (0.46) ALDH1A1MAOBTDP1
SCHEMBL10618638 0.81 TDP1 (0.53) MAOBTDP1
SCHEMBL14033171 0.78 TDP1 (0.51) ALDH1A1TDP1RAB9A
SCHEMBL30069487 0.78 TDP1 (0.69) ALDH1A1MTNR1BTDP1MTNR1ASMN1; SMN2
SCHEMBL9164898 0.78 ALDH1A1 (0.56) ALDH1A1MAOBMTNR1BMTNR1APTPN1
SCHEMBL3994473 0.76 LTA4H (0.46) MTNR1ANOX1
SCHEMBL10360404 0.75 TDP1 (0.50) ALDH1A1TDP1RAB9ASMN1; SMN2
SCHEMBL10378725 0.75 TDP1 (0.57) ALDH1A1MTNR1BTDP1MTNR1ANPC1
SCHEMBL21924287 0.75 MAOB (0.58) ALDH1A1MAOBNPC1RAB9ASMN1; 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-5501980-A Benzazolylcoumarin-based ion indicators MOLECULAR PROBES, INC. (US) 1996-03-26 US disclosed