SCHEMBL6734945

SCHEMBL6734945

CCOC(=O)/C=C(/C)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PPID Q08752 1/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP2C9 P11712 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
NAMPT P43490 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.47
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
BCHE P06276 1/20 0.46
RIPK1 Q13546 1/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL7528187 1.00 MAPT (0.62) MAPTMEN1KMT2APPIDALDH1A1
SCHEMBL17845067 0.88 MEN1 (0.53) MAPTMEN1KMT2APPIDALDH1A1
SCHEMBL19602217 0.88 MEN1 (0.53) MAPTMEN1KMT2APPIDALDH1A1
SCHEMBL11720022 0.88 MAPT (0.48) MAPTMEN1KMT2APPIDALDH1A1
SCHEMBL11720041 0.88 MAPT (0.48) MAPTMEN1KMT2APPIDALDH1A1
SCHEMBL7697326 0.86 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL17320385 0.86 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6590119 0.86 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL11726774 0.85 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL11399159 0.85 NAMPT (0.51) MAPTKMT2APPIDALDH1A1KDM4E

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
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US claimed
US-6281295-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.R.L. (IT) 2001-08-28 US disclosed
EP-0735083-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL EUROP (CH) 2000-02-09 EP disclosed
EP-0735083-A1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1996-10-02 EP disclosed
US-4622332-A Asymmetric diesters of Hantzsch dihydropyridines with hypotensive activity BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4273573-A Agents for regulating plant growth using 2-thiazolone-5-carboxylic acid compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed
US-4027037-A ARTHROPOD METAMORPHOSIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-3933834-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed
US-3932436-A 2-Thiazolone-5-carboxylic acid ester fungicidal agents BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed