SCHEMBL9314283

SCHEMBL9314283

C=CC(=O)OCCCCCCN1CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.68
ALDH1A1 P00352 4/20 0.68
CYP3A4 P08684 1/20 0.68
HPGD P15428 1/20 0.52
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC29A1 Q99808 2/20 0.41
TEAD3 Q99594 1/20 0.40
PAOX Q6QHF9 1/20 0.40
THRB P10828 2/20 0.37
BCHE P06276 2/20 0.36
MEN1 O00255 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL9315129 1.00 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1433669 0.98 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25561202 0.94 ALDH1A1 (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11313067 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30980880 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7085762 0.93 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25165772 0.92 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10716218 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28985923 0.86 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27756363 0.86 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138934-B1 ACRYLIC TELOMERS WITH PHOTOCROSSLINKABLE GRAFTS, SYNTHESIS THEREOF AND THEIR APPLICATIONS TO THE COATING OF METALS Société Anonyme dite: NORSOLOR (FR) 1989-03-15 EP claimed
US-4638018-A Acrylic telomers with grafts which can be cross linked by light, their synthesis and their applications in coating metals CEGEDUR SOCIETE DE TRANSFORMATION DE L'ALUMINIUM PECHINEY (FR) 1987-01-20 US claimed
US-5315031-A Oligomers with polydiene sequences and photocrosslinkable grafts and their application particularly in coating metals ATOCHEM (FR) 1994-05-24 US disclosed
US-4638018-A Acrylic telomers with grafts which can be cross linked by light, their synthesis and their applications in coating metals CEGEDUR SOCIETE DE TRANSFORMATION DE L'ALUMINIUM PECHINEY (FR) 1987-01-20 US disclosed