SCHEMBL6581979

SCHEMBL6581979

CC(C)(c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.80
▸ MAPT P10636 5/20 0.66
▸ ALDH1A1 P00352 4/20 0.64
▸ HTT P42858 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ KMT2A Q03164 1/20 0.62
▸ LDHA P00338 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56

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
Hydrochloric Acid SCHEMBL6581412 0.83 MAPK1 (0.59) ENPP2MAPTALDH1A1HTTKMT2A
SCHEMBL19145333 0.80 KMT2A (0.74) ENPP2MAPTALDH1A1HTTKMT2A
SCHEMBL7253850 0.78 MAPT (0.54) ENPP2MAPTALDH1A1HTTTP53
SCHEMBL28575185 0.78 ALDH1A1 (0.68) ENPP2ALDH1A1HTTKMT2AKDM4E
SCHEMBL13153237 0.78 MAPT (0.68) ENPP2MAPTALDH1A1HTTTP53
SCHEMBL13531595 0.77 KMT2A (0.70) ENPP2MAPTALDH1A1KMT2AKDM4E
SCHEMBL1387486 0.76 MAPT (0.74) MAPTALDH1A1HTTTP53KMT2A
SCHEMBL13181103 0.74 MAPT (0.70) MAPTALDH1A1HTTTP53KMT2A
SCHEMBL8932385 0.73 MAPT (0.69) ENPP2MAPTALDH1A1HTTTP53
SCHEMBL942925 0.73 MAPT (0.69) MAPTALDH1A1HTTTP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060175-B1 TRYPTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2004-11-17 — — EP disclosed
US-6613769-B1 Incubating samples with enzyme inhibitors, then determining complexes formed; medical diagnosis; therapy for allergies and inflammation Max-Planck-Gesellschaft zur Föderung der Wissenschaften. e.V. (DE) 2003-09-02 — — US disclosed
US-6489327-B1 TREATING A DISEASE SUSCEPTIBLE TO TRYPTASE INHIBITION SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS OR RHINITIS MAX-PLANCK-GESELLSCHAFT ZUR FORDRUNGDER WISENSCHAFTEN, E.V. (DE) 2002-12-03 — — US disclosed
EP-1060171-A2 TRYPTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-12-20 — — EP disclosed
EP-1060175-A2 TRYPTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-12-20 — — EP disclosed
WO-1999040083-A2 BIFUNCTIONAL TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 — — WO disclosed
WO-1999040073-A2 TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 — — WO disclosed
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