SCHEMBL9163597

SCHEMBL9163597

C=CC(=O)OCCCN1CCCNC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
PER2 O15055 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 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
SCHEMBL27687659 0.92 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL167047 0.82 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24649555 0.82 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6655502 0.80 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11332040 0.78 KMT2A (0.39) TSHRALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL12515388 0.78 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30263675 0.76 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30263676 0.75 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19146018 0.75 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20733275 0.75 SMN1; SMN2 (0.49) ALDH1A1HPGDSMN1; SMN2MAPTGRIN2D

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
EP-0432920-B1 Polymer-modified cements with improved chemical resistance ROHM & HAAS (US) 1995-04-05 EP disclosed
US-5162060-A Acrylic Polymer Containing Ureido Group, Epoxy Resin ROHM AND HAAS COMPANY (US) 1992-11-10 US disclosed
EP-0432920-A2 Polymer-modified cements with improved chemical resistance ROHM AND HAAS COMPANY (US) 1991-06-19 EP disclosed
US-4190693-A WATERBASE, THERMOSETTING RESINS FOR DIRECT ROLL COATING ROHM AND HAAS COMPANY (US) 1980-02-26 US 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