SCHEMBL6569639

SCHEMBL6569639

C=C(C)C(=O)OCC(O)CN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
ABCB1 P08183 10/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.47
ATM Q13315 1/20 0.46
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10431262 0.92 TSHR (0.52) PKMABCB1MEN1KMT2ATSHR
SCHEMBL5480649 0.86 USP2 (0.53) ABCB1TSHRPOLBALDH1A1
SCHEMBL8421425 0.86 KDM4E (0.50) PKMMEN1KMT2ATSHRKDM4E
SCHEMBL5485580 0.85 SMN1; SMN2 (0.54) PKMABCB1TSHRPOLBKDM4E
SCHEMBL761032 0.83 PKM (0.56) PKMABCB1MEN1KMT2ATSHR
SCHEMBL94906 0.77 TSHR (0.68) MEN1KMT2ATSHRPOLBKDM4E
SCHEMBL28123602 0.77 PKM (0.56) PKMABCB1MEN1KMT2ATSHR
SCHEMBL25166535 0.76 TSHR (0.42) TSHRPOLBALDH1A1
SCHEMBL4632137 0.76 PKM (0.52) PKMABCB1MEN1KMT2ATSHR
SCHEMBL19998240 0.75 TSHR (0.65) MEN1KMT2ATSHRPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US claimed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP claimed
EP-0752612-B1 Electrochromic device NIPPON MITSUBISHI OIL CORP (JP) 2004-04-21 EP disclosed
US-5859722-A Electrochromic device NIPPOM OIL CO., LTD (JP) 1999-01-12 US disclosed
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US disclosed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP disclosed
EP-0752612-A1 Electrochromic device NIPPON OIL CO., LTD. (JP) 1997-01-08 EP disclosed