SCHEMBL9469787

SCHEMBL9469787

C=CC(=O)OCCN1CCN(COC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 2/20 0.40
HPGD P15428 2/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4196309 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9470157 0.84 THRB (0.39) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL11837071 0.84 TSHR (0.46) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL4191407 0.84 THRB (0.43) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL11839585 0.80 BCHE (0.31) ALDH1A1KDM4E
SCHEMBL17936651 0.77 KMT2A (0.46) TSHRALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11828704 0.76 ZDHHC20 (0.36) TSHRALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4188616 0.75 TSHR (0.36) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL6754694 0.74 LMNA (0.31)
SCHEMBL4200824 0.73 SCN9A (0.34) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5244995-A Vinyl halide aqueous polymerization dispersant system THE BF GOODRICH COMPANY (US) 1993-09-14 US disclosed
US-5155189-A Derived from repeating units of acrylic and/or methacrylic ester polymers THE B. F. GOODRICH COMPANY (US) 1992-10-13 US disclosed
EP-0483051-A1 Improved vinyl halide aqueous polymerization dispersant system The Geon Company (US) 1992-04-29 EP disclosed
US-4126595-A Aqueous coating compositions comprising acrylic oligomers, high molecular weight polymers and crosslinkers ROHM AND HAAS COMPANY (US) 1978-11-21 US disclosed
US-4087397-A Aqueous coating compositions comprising acrylic oligomers and high molecular weight polymers ROHM AND HAAS COMPANY (US) 1978-05-02 US disclosed
US-3992333-A NITROGEN AND SULFUR CONTAINING COPOLYMER IS SELF-CROSSLINKING BINDER ROHM AND HAAS COMPANY (US) 1976-11-16 US disclosed