SCHEMBL1644544

SCHEMBL1644544

C/C=C(\C)CNCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.39
LMNA P02545 4/20 0.36
SLC15A2 Q16348 1/20 0.36
EGLN1 Q9GZT9 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL23712372 0.81 CTH (0.37) CTHLMNASLC15A2EGLN1KDM4E
Acetic Acid SCHEMBL30401693 0.81 CTH (0.48) CTHLMNASLC15A2EGLN1KDM4E
Acetic Acid SCHEMBL31437203 0.81 CTH (0.48) CTHLMNASLC15A2EGLN1KDM4E
SCHEMBL4816014 0.78 LMNA (0.50) CTHLMNAEGLN1KDM4EKDM6B
SCHEMBL27023 0.78
SCHEMBL5043852 0.77 CTH (0.36) CTHLMNASLC15A2EGLN1KDM4E
SCHEMBL23257597 0.76 RECQL (0.37) CTHLMNASLC15A2EGLN1KDM4E
SCHEMBL597185 0.76
Acetamide SCHEMBL15006561 0.76 LMNA (0.47) CTHLMNASLC15A2EGLN1KDM4E
SCHEMBL3464176 0.74 LMNA (0.47) CTHLMNAEGLN1KDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421262-B2 Compositions and methods for treating dermatological conditions BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2016-08-23 US claimed
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO claimed
US-20110098229-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS BIOMED RESEARCH & TECHNOLOGIES, INC. 2011-04-28 US claimed
EP-1098630-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION Biomed Research and Technologies, Inc. (US) 2001-05-16 EP claimed
US-6149924-A FOR TOPICAL APPLICATION BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2000-11-21 US claimed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO claimed
WO-2022190030-A1 A TOPICAL FORMULATION FOR THE TREATMENT OF SKIN DISEASES AVACA PHARMA PRIVATE LIMITED (IN) 2022-09-15 WO disclosed
US-9421262-B2 Compositions and methods for treating dermatological conditions BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-8849577-B2 Methods of identifying biochemical pathways METABOLON, INC. (US) 2014-09-30 US disclosed
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO disclosed
US-20110098229-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS BIOMED RESEARCH & TECHNOLOGIES, INC. 2011-04-28 US disclosed
US-20080161228-A1 Using metabolomics to expedite drug discovery and development; invention provides means to select and advance most selective lead compounds from series of candidates based on metabolomic profiles which contain data regarding both expected or intended (e.g., on-target) and unexpected effects of compounds METABOLON INC. (US) 2008-07-03 US disclosed
WO-2008033575-A9 METHODS OF IDENTIFYING BIOCHEMICAL PATHWAYS METABOLON INC (US) 2008-06-26 WO disclosed
WO-2008033575-A2 METHODS OF IDENTIFYING BIOCHEMICAL PATHWAYS METABOLON, INC. (US) 2008-03-20 WO disclosed
EP-1098630-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION Biomed Research and Technologies, Inc. (US) 2001-05-16 EP disclosed
US-6149924-A FOR TOPICAL APPLICATION BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2000-11-21 US disclosed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO disclosed