SCHEMBL7222841

SCHEMBL7222841

O=C(Cl)COCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 3/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL8104417 0.87 MAOB (0.54) TSHRMAOBMAOAKMT2AALDH1A1
SCHEMBL1767329 0.84 TSHR (0.65) TSHRMAOBMAOAKMT2AALDH1A1
SCHEMBL1493670 0.82 KMT2A (0.60) TSHRMAOBMAOAKMT2AALDH1A1
SCHEMBL7221312 0.81 IDO1 (0.54) TSHRMAOBMAOAALDH1A1RAB9A
SCHEMBL11503161 0.81 TSHR (0.67) TSHRMAOBMAOAKMT2AALDH1A1
SCHEMBL18714233 0.81 TSHR (0.57) TSHRMAOBMAOAKMT2AALDH1A1
SCHEMBL8114222 0.80 MAOB (0.51) TSHRMAOBMAOAKMT2AALDH1A1
SCHEMBL641742 0.80 TSHR (0.64) TSHRMAOBMAOAALDH1A1MAPT
SCHEMBL7861196 0.80 TSHR (0.59) TSHRMAOBMAOAKMT2AALDH1A1
SCHEMBL925746 0.79 TSHR (0.54) TSHRMAOBMAOAKMT2AALDH1A1

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
US-6552226-B1 Rapid; low temperature; one pot synthesis; reduced catalytic quantities of such as lewis acid and tertiary amine; entiomerically pure products THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-22 US disclosed
US-6359174-B1 REACTING ALLYL REACTANT WITH ACID CHLORIDE IN PRESENCE OF LEWIS ACID CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-03-19 US disclosed