SCHEMBL20061003

SCHEMBL20061003

C=CC(=O)NCCN(CCN)C(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ZDHHC20 Q5W0Z9 2/20 0.40
▸ ZDHHC2 Q9UIJ5 2/20 0.40
▸ GAA P10253 1/20 0.35
▸ TGM2 P21980 2/20 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
SCHEMBL11510789 0.91 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL20194263 0.90 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12328383 0.89 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL18976871 0.89 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12328335 0.89 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12328965 0.86 ZDHHC20 (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL20061010 0.85 ZDHHC20 (0.33) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL20051564 0.84 ZDHHC20 (0.49) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL16746563 0.84 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL10485732 0.83 ZDHHC20 (0.38) ALDH1A1TSHRZDHHC20ZDHHC2

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
EP-3327050-A1 CURABLE COMPOSITION Fujifilm Corporation (JP) 2018-05-30 — — EP disclosed
US-20180105629-A1 CURABLE COMPOSITION FUJIFILM CORPORATION (JP) 2018-04-19 — — US disclosed
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