SCHEMBL30285352

SCHEMBL30285352

C=CCNC(=O)C(=C)C/C=C/CC(=C)C(=O)NCC=C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.37
FAAH O00519 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL1077999 0.89 TSHR (0.45) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL7170680 0.83 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL28270223 0.80 ALDH1A1 (0.41) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL28270222 0.80 ALDH1A1 (0.43) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
Acrylamide SCHEMBL28226782 0.80 ALDH1A1 (0.41) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL45240 0.80 TSHR (0.45) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL30961 0.78 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL9047033 0.78 ALOX15 (0.48) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4952777 0.78 TSHR (0.56) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL5140971 0.77 TSHR (0.42) TSHRSMN1; SMN2MAPTKMT2AALDH1A1

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-111225648-B Photocurable dental compositions 登特斯普伊德特雷有限公司 2023-03-31 CN disclosed