SCHEMBL5145987

SCHEMBL5145987

CC(=O)CC(=O)Nc1ccccc1.CC(=O)CC(N)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.72
▸ KDM1A O60341 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ NAPRT Q6XQN6 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ EPHX2 P34913 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SCN1A P35498 1/20 0.50
▸ SCN2A Q99250 1/20 0.50

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
SCHEMBL9121361 0.91 MAPT (0.85) MAPTKDM1AALDH1A1KDM4EMEN1
SCHEMBL14914 0.91 MAPT (0.85) MAPTKDM1AALDH1A1KDM4EMEN1
Methane SCHEMBL28009609 0.89 MAPT (0.82) MAPTKDM1AALDH1A1KDM4EMEN1
SCHEMBL587369 0.89 MAPT (0.82) MAPTKDM1AALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL28406796 0.89 MAPT (0.82) MAPTKDM1AALDH1A1KDM4EMEN1
SCHEMBL28996270 0.89 MAPT (0.82) MAPTKDM1AALDH1A1KDM4EMEN1
SCHEMBL8849064 0.89 MAPT (0.82) MAPTKDM1AALDH1A1KDM4EMEN1
Potassium SCHEMBL30309050 0.89 MAPT (0.82) MAPTKDM1AALDH1A1KDM4EMEN1
Bromide SCHEMBL27974437 0.89 MAPT (0.82) MAPTKDM1AALDH1A1KDM4EMEN1
SCHEMBL11216876 0.87 MAPT (0.79) MAPTKDM1AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511641-A — — 2007-05-10 — — JP claimed
US-7169825-B2 Dual cure reaction products of self-photoinitiating multifunctional acrylates with thiols and synthetic methods ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2007-01-30 — — US claimed
EP-1685193-A4 DUAL CURE REACTION PRODUCTS OF SELF-PHOTOINITIATING MULTIFUNCTIONAL ACRYLATES WITH CYCLOALIPHATIC EPOXY COMPOUNDS ASHLAND LICENSING & INTELLECTU (US) 2006-12-13 — — EP claimed
EP-1685193-A2 DUAL CURE REACTION PRODUCTS OF SELF-PHOTOINITIATING MULTIFUNCTIONAL ACRYLATES WITH CYCLOALIPHATIC EPOXY COMPOUNDS Ashland Licensing and Intellectual Property LLC (US) 2006-08-02 — — EP claimed
EP-1660549-A2 DUAL CURE REACTION PRODUCTS OF SELF-PHOTOINITIATING MULTIFUNCTIONAL ACRYLATES WITH THIOLS AND SYNTHETIC METHODS Ashland Licensing and Intellectual Property LLC (US) 2006-05-31 — — EP claimed
US-7041749-B2 Dual cure reaction products of self-photoinitiating multifunction acrylates with cycloaliphatic epoxy compounds ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2006-05-09 — — US claimed
WO-2005048866-A2 DUAL CURE REACTION PRODUCTS OF SELF-PHOTOINITIATING MULTIFUNCTIONAL ACRYLATES WITH CYCLOALIPHATIC EPOXY COMPOUNDS ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2005-06-02 — — WO claimed
WO-2005012394-A2 DUAL CURE REACTION PRODUCTS OF SELF-PHOTOINITIATING MULTIFUNCTIONAL ACRYLATES WITH THIOLS AND SYNTHETIC METHODS ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2005-02-10 — — WO claimed
Send feedback