SCHEMBL26095375

SCHEMBL26095375

C=CC(=O)N[C@H](C)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TGM2 P21980 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.35
ACACB O00763 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21629443 1.00 TSHR (0.58) TSHRCA14MEN1KMT2AMAPT
SCHEMBL21368255 1.00 TSHR (0.58) TSHRCA14MEN1KMT2AMAPT
SCHEMBL21368256 0.83 TSHR (0.54) TSHRMEN1KMT2AALDH1A1TGM2
SCHEMBL11014137 0.82 TSHR (0.52) TSHRALDH1A1MAPK1ACACBTDP1
SCHEMBL11014139 0.82 TSHR (0.52) TSHRALDH1A1MAPK1ACACBTDP1
SCHEMBL28176602 0.81 CA14 (0.42) TSHRCA14MEN1KMT2AMAPT
SCHEMBL21368254 0.80 TSHR (0.50) TSHRCA14MEN1KMT2AMAPT
SCHEMBL26478890 0.80 TSHR (0.55) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8373316 0.80 TSHR (0.60) TSHRALDH1A1TGM2CYP2C19MAPK1
SCHEMBL8373317 0.80 TSHR (0.60) TSHRALDH1A1TGM2CYP2C19MAPK1

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
US-20230135413-A1 CURABLE WATER-BASED COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE WATER-BASED COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE WATER-BASED INK, STORED CONTAINER, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING APPARATUS, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING METHOD, CURED PRODUCT, AND DECORATED BODY RICOH COMPANY, LTD. (JP) 2023-05-04 US disclosed