SCHEMBL1077419

SCHEMBL1077419

C=CCC(C=C)NC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
TGM2 P21980 2/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
F13A1 P00488 1/20 0.31
LMNA P02545 1/20 0.31
TGM1 P22735 1/20 0.31
TGM3 Q08188 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
MAPT P10636 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
SCHEMBL23092171 0.87 TSHR (0.46) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL11461905 0.80 TSHR (0.48) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL27992132 0.80 TSHR (0.35) TSHRCYP2C19SMN1; SMN2GRIK1GRIK2
SCHEMBL6906222 0.78 TSHR (0.34) TSHRALDH1A1SMN1; SMN2GRIK1GRIK2
SCHEMBL28679718 0.77 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL7114237 0.76 TSHR (0.37) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL15444305 0.74 TSHR (0.58) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL19315489 0.74 TSHR (0.47) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL22750295 0.74 TGFBR1 (0.43) TSHRSMN1; SMN2
SCHEMBL5823623 0.72 TSHR (0.45) TSHRALDH1A1MAPK1TDP1CYP2C19

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
WO-2011005770-A1 CERIA FOR USE AS AN ANTIMICROBIAL BARRIER AND DISINFECTANT IN A WOUND DRESSING MOLYCORP MINERALS LLC (US) 2011-01-13 WO disclosed
US-5633049-A POLYCARBONATE AND POLYMETHYL METHACRYLATE WINDOWS, REACTION PRODUCT OF AN ACRYLIC AMIDE AND A TRIACRYLATE OR TETRAACRYLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-27 US disclosed