SCHEMBL8924977

SCHEMBL8924977

[CH]=C(c1ccc(OCC)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
NQO1 P15559 1/20 0.48
PARP10 Q53GL7 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
MCL1 Q07820 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
PLK1 P53350 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PTGES O14684 1/20 0.43
HTT P42858 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
SCHEMBL60209 0.85 NQO1 (0.67) MAOBNQO1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL2855974 0.83 NQO1 (0.64) MAOBNQO1ALDH1A1MAPTKDM4E
SCHEMBL8924890 0.83 MEN1 (0.58) MAOBNQO1PARP10PRSS1PRSS2
SCHEMBL11489003 0.83 ALDH1A1 (0.66) MAOBPARP10ALDH1A1MAPTKDM4E
SCHEMBL7087145 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ERAB9ATSHR
SCHEMBL3959767 0.80 MAPT (0.57) MAOBALDH1A1MAPTKDM4ERAB9A
SCHEMBL9312595 0.80 MAOB (0.54) MAOBNQO1PARP10PRSS1PRSS2
SCHEMBL9312591 0.80 MAOB (0.54) MAOBNQO1PARP10PRSS1PRSS2
SCHEMBL10681501 0.80 MAOB (0.54) MAOBNQO1PARP10PRSS1PRSS2
SCHEMBL11725570 0.75 LMNA (0.54) MAOBNQO1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5676884-A Nonlinear optical materials containing polar disulfone-functionalized molecules MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-14 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 WO disclosed