SCHEMBL6568210

SCHEMBL6568210

C=C(C)c1ccc(CN=C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
KMT2A Q03164 1/20 0.35
MIF P14174 4/20 0.33
PYCR1 P32322 1/20 0.33
MAOB P27338 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SRD5A2 P31213 1/20 0.33
SCN2A Q99250 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31

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
SCHEMBL9546404 0.81 TRPA1 (0.33) TRPA1MIF
SCHEMBL5697429 0.80 TRPA1 (0.35) TRPA1MIF
SCHEMBL436823 0.80 IDO1 (0.42) TRPA1MIFPYCR1MAPTTDP1
SCHEMBL374482 0.80 MIF (0.36) KMT2AMIFMAPTSMN1; SMN2CYP3A4
SCHEMBL21089 0.79 MIF (0.44) TRPA1MIFCYP3A4ALDH1A1TSHR
SCHEMBL22471901 0.77 MIF (0.43) TRPA1MIFCYP3A4ALDH1A1TSHR
Water SCHEMBL14972874 0.77 MIF (0.43) TRPA1MIFCYP3A4ALDH1A1TSHR
Water SCHEMBL29040332 0.77 MIF (0.43) TRPA1MIFCYP3A4ALDH1A1TSHR
SCHEMBL27657933 0.77 ALDH1A1 (0.50) KMT2ATHRBSRD5A2L3MBTL1LMNA
Alcohol SCHEMBL28895010 0.76 CYP4F2 (0.37) KMT2AMIFMAPTSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438090-B2 Binder composition for the preparation of pigment pastes and aqueous coating compositions containing these pigment pastes HERBERTS GESELLSCHAFTMIT BESCH (DE) 2004-02-04 EP disclosed
US-5880209-A POLYESTERURETHANE COPOLYMERS WITH NEUTRALIZED ACID GROUPS HERBERTS GMBH (DE) 1999-03-09 US disclosed
EP-0808857-A2 A structured reactive latex H.B. Fuller Licensing & Financing, Inc. (US) 1997-11-26 EP disclosed
EP-0581211-B1 Aqueous coating, process for its preparation and its use in processes for multilayer coating HERBERTS & CO GMBH (DE) 1996-02-28 EP disclosed
US-5342882-A Polyurethane resin-based binder HERBERTS GMBH (DE) 1994-08-30 US disclosed
EP-0438090-B1 Binder composition for the preparation of pigment pastes and aqueous coating compositions containing these pigment pastes HERBERTS & CO GMBH (DE) 1994-04-06 EP disclosed
EP-0581211-A1 Aqueous coating, process for its preparation and its use in processes for multilayer coating Herberts Gesellschaft mit beschränkter Haftung (DE) 1994-02-02 EP disclosed
US-5157095-A Hydrosilylation of unsaturated aliphatic isocyanates THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-10-20 US disclosed
EP-0438090-A1 Binder composition for the preparation of pigment pastes and aqueous coating compositions containing these pigment pastes Herberts Gesellschaft mit beschränkter Haftung (DE) 1991-07-24 EP disclosed