SCHEMBL7105847

SCHEMBL7105847

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 5/20 0.46
MAOA P21397 1/20 0.46
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
AGTR1 P30556 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL9598007 0.88 MAPT (0.57) MAPTALDH1A1RAB9AKDM4EGAA
SCHEMBL7099359 0.87 MEN1 (0.41) MAPTMAOBMEN1KMT2A
SCHEMBL7532967 0.85 TACR3 (0.47) MAOBMEN1KMT2A
SCHEMBL4194817 0.83 MEN1 (0.41) MAOBMEN1KMT2A
SCHEMBL7106167 0.82 KMT2A (0.38) MEN1KMT2A
SCHEMBL9631380 0.82 TDP1 (0.47) MAPTALDH1A1RAB9AKDM4ELMNA
SCHEMBL3899668 0.82 MAPT (0.42) MAPTALDH1A1KDM4EGAAMAOB
SCHEMBL4190377 0.81 MEN1 (0.42) MAOBMEN1KMT2A
SCHEMBL7102939 0.81 MAOB (0.54) MAPTALDH1A1RAB9AKDM4EGAA
SCHEMBL7533840 0.81 TDP1 (0.42) MAPTALDH1A1RAB9AKDM4ELMNA

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-0988551-B1 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER AG (US) 2003-09-10 EP disclosed
US-6165800-A Chemiluminescent energy transfer conjugates and their uses as labels in binding assays BAYER CORPORATION (US) 2000-12-26 US disclosed