SCHEMBL28849181

SCHEMBL28849181

C=C(C#N)C(=O)OC(CCCCCCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMPD1 P17405 3/20 0.37
GPR84 Q9NQS5 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FFAR1 O14842 1/20 0.33
FAAH O00519 5/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL3141579 0.91 TSHR (0.47) TSHRALDH1A1SMPD1GPR84ZDHHC7
SCHEMBL7545696 0.88 ALDH1A1 (0.51) TSHRALDH1A1
SCHEMBL28849187 0.87 TSHR (0.44) TSHRALDH1A1SMPD1GPR84ZDHHC7
SCHEMBL28122695 0.86 TSHR (0.44) TSHRALDH1A1SMPD1GPR84ZDHHC7
SCHEMBL17142023 0.84 FAAH (0.48) TSHRALDH1A1GPR84FAAHMAPT
SCHEMBL28250919 0.84 FAAH (0.48) TSHRALDH1A1GPR84FAAHMAPT
2-Octyl Cyanoacrylate SCHEMBL24588 0.84 FAAH (0.48) TSHRALDH1A1GPR84FAAHMAPT
SCHEMBL15519572 0.82 TSHR (0.47) TSHRALDH1A1FAAHMAPTCNR1
SCHEMBL4888140 0.82 ALDH1A1 (0.55) TSHRALDH1A1
SCHEMBL4892530 0.81 TSHR (0.44) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796591-A Cyanoacrylate medical adhesive and preparation method and application thereof 北京康派特医疗器械有限公司 2022-07-29 CN disclosed