SCHEMBL9722972

SCHEMBL9722972

CC(N)C(N)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.45
MAOA P21397 1/20 0.45
TSHR P16473 1/20 0.44
ACACB O00763 1/20 0.42
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SOS1 Q07889 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PLA2G2A P14555 1/20 0.39
TARS1 P26639 1/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL114847 0.82 KCNN4 (0.48) MAOAMAPK1
SCHEMBL635988 0.79 SLC6A4 (0.47) MAOATSHRALDH1A1MAPK1CA1
SCHEMBL14596128 0.79 SLC6A4 (0.47) MAOATSHRALDH1A1MAPK1CA1
SCHEMBL22158987 0.76 LTA4H (0.52) LTA4HMAOATSHRNR1H2BAX
SCHEMBL9719461 0.75 RIPK1 (0.41) LTA4HTSHRACACBALDH1A1MAPK1
SCHEMBL7598855 0.72 LTA4H (0.52) LTA4HMAOATSHRACACBNR1H2
SCHEMBL1744599 0.72 LTA4H (0.52) LTA4HMAOATSHRACACBNR1H2
SCHEMBL20558768 0.72 LTA4H (0.52) LTA4HMAOATSHRNR1H2BAX
SCHEMBL9487460 0.72 LTA4H (0.52) LTA4HMAOATSHRACACBNR1H2
SCHEMBL506349 0.72 LTA4H (0.52) LTA4HMAOATSHRACACBNR1H2

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-5081196-A Containing an acetylenically unsaturated monoamine compound UBE INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0357367-A2 Terminal-modified aromatic imide oligomer composition UBE INDUSTRIES, LTD. (JP) 1990-03-07 EP disclosed