SCHEMBL10071375

SCHEMBL10071375

CCC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.50
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
HSPB1 P04792 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GPR35 Q9HC97 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MTOR P42345 1/20 0.47
KDM4E B2RXH2 1/20 0.47
VCP P55072 1/20 0.47
BCL9 O00512 1/20 0.47

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
SCHEMBL27768435 0.88 BCL9 (0.62) TTRALDH1A1TDP1KMT2AMAPT
SCHEMBL17165001 0.87 KMT2A (0.58) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL468371 0.85 ALDH1A1 (0.51) TTRALDH1A1TDP1KMT2AMAPT
SCHEMBL28043702 0.85 HSPB1 (0.51) TTRALDH1A1TDP1KMT2AMAPT
SCHEMBL6120526 0.85 ALDH1A1 (0.48) TTRALDH1A1TDP1KMT2AMAPT
SCHEMBL11228939 0.85 ALDH1A1 (0.48) TTRALDH1A1TDP1KMT2AMAPT
SCHEMBL27627545 0.85 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL27988647 0.85 ALDH1A1 (0.59) TTRALDH1A1TDP1KMT2AMAPT
SCHEMBL7824979 0.84 TTR (0.49) TTRALDH1A1TDP1KMT2AMAPT
SCHEMBL7778632 0.84 MAPT (0.55) ALDH1A1TDP1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52032086-A None JP disclosed
EP-3128838-B1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP AS (CZ) 2020-04-29 EP disclosed
EP-3128838-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION Agra Group, A.S. (CZ) 2017-02-15 EP disclosed
CN-103524523-B Trichodermin C8 oxime ether derivative and uses thereof ZHEJIANG UNIVERSITY (CN) 2016-01-06 CN disclosed
WO-2015154732-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP A.S. (CZ) 2015-10-15 WO disclosed
CN-104203970-A Liquid crystal aligning agent WAKO PURE CHEM IND LTD 2014-12-10 CN disclosed
CN-103524523-A Trichodermin C8 oxime ether derivatives and application thereof UNIV ZHEJIANG 2014-01-22 CN disclosed
US-8202963-B2 Tissue adhesives with modified elasticity ACTAMAX SURGICAL MATERIALS, LLC (US) 2012-06-19 US disclosed
US-20110269916-A1 TISSUE ADHESIVES WITH MODIFIED ELASTICITY ACTAMAX SURGICAL MATERIALS, LLC 2011-11-03 US disclosed
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN disclosed
JP-S5232086-A PROCESS FOR PREPARING A PHOTOCHROMIC POLYMER FUJIKURA KASEI KK 1977-03-10 JP disclosed
US-3996052-A Phototropic compounds as acid catalyst in photopolymerizing process AMERICAN CAN COMPANY (US) 1976-12-07 US disclosed
US-3949143-A Epoxy resin coatings cured with phototropic aromatic nitro compounds AMERICAN CAN COMPANY (US) 1976-04-06 US disclosed