SCHEMBL28009667

SCHEMBL28009667

C=C(C#N)C(=O)OCCCCCCCCCCCCO

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 2/20 0.53
ACHE P22303 6/20 0.38
CYP3A4 P08684 1/20 0.35
DNM1 Q05193 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
APP P05067 2/20 0.31
GPR84 Q9NQS5 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL9337209 1.00 TSHR (0.53) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL27907823 0.98 TSHR (0.55) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL11799311 0.92 TSHR (0.57) TSHRALDH1A1DNM1
SCHEMBL4581421 0.92 TSHR (0.61) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL1983908 0.92 TSHR (0.61) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL11674143 0.92 TSHR (0.61) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL1982870 0.92 TSHR (0.61) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL1982599 0.92 TSHR (0.61) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL11672299 0.92 TSHR (0.61) TSHRALDH1A1ACHECYP3A4DNM1
SCHEMBL4581824 0.92 TSHR (0.61) TSHRALDH1A1ACHECYP3A4DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103083718-B Biodegradable medical adhesive, and preparation method and purpose thereof INST PHARM & TOXICOLOGY AMMS 2015-06-10 CN disclosed
CN-103083718-A Biodegradable medical adhesive, and preparation method and purpose thereof INST PHARM & TOXICOLOGY AMMS 2013-05-08 CN disclosed