SCHEMBL3912948

SCHEMBL3912948

CCCCC1=C(C(=O)O)CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.37
RARB P10826 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCD O00767 1/20 0.34
HCAR2 Q8TDS4 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HCAR3 P49019 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL6478501 0.93 SCD (0.43) DUSP3RARBALDH1A1SCDMEN1
SCHEMBL3421459 0.88 DUSP3 (0.32) DUSP3HCAR2
SCHEMBL294898 0.68 SCD (0.44) RARBALDH1A1HPGDHSD17B10SCD
SCHEMBL6128235 0.67
SCHEMBL8362389 0.65 SCD (0.42) RARBALDH1A1HPGDHSD17B10SCD
SCHEMBL31670830 0.65 SCD (0.42) RARBALDH1A1HPGDHSD17B10SCD
SCHEMBL10618311 0.64 CDC25A (0.43) RARBALDH1A1SCDHCAR2MEN1
SCHEMBL11460886 0.63 DUSP3 (0.45) DUSP3ALDH1A1HPGDHSD17B10SCD
SCHEMBL2731945 0.63 CDC25A (0.46) RARBALDH1A1HSD17B10SCDMEN1
SCHEMBL6433540 0.63 CDC25A (0.46) RARBALDH1A1HSD17B10SCDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228062-A EPOXY ALKYL METHACRYLATE WITH A DIMETHACRYLATE CROSSLINKING AGENT FOR BONDING ORTHODONTIC BRACKETS TO TEETH LEE PHARMACEUTICALS (US) 1980-10-14 US claimed
EP-2016107-A2 USE OF COPOLYMERS AS ADHESIVES IN LACQUERS BYK-Chemie GmbH (DE) 2009-01-21 EP disclosed
WO-2007128510-A2 USE OF COPOLYMERS AS ADHESIVES IN LACQUERS BYK-CHEMIE GMBH (DE) 2007-11-15 WO disclosed