SCHEMBL8185993

SCHEMBL8185993

C=C(C)C(=O)N[C@@H](CCC)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.67
FPR2 P25090 1/20 0.43
NOD1 Q9Y239 3/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MME P08473 1/20 0.39
FOLH1 Q04609 4/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8185990 1.00 TGFBR1 (0.67) TGFBR1FPR2NOD1CHRM1AKR1A1
SCHEMBL8187236 0.89 TGFBR1 (0.62) TGFBR1NOD1HDAC2MMEFOLH1
SCHEMBL5940625 0.89 TGFBR1 (0.62) TGFBR1NOD1HDAC2MMEFOLH1
SCHEMBL2831733 0.86 TGFBR1 (0.59) TGFBR1NOD1FOLH1MAPTPLA2G2A
SCHEMBL4613393 0.86 TGFBR1 (0.59) TGFBR1NOD1FOLH1MAPTPLA2G2A
SCHEMBL4442415 0.84 TGFBR1 (0.71) TGFBR1MMEFOLH1NAALAD2KDM4E
SCHEMBL1556930 0.83 TGFBR1 (0.65) TGFBR1FOLH1RIMKLANAALAD2
SCHEMBL1556929 0.83 TGFBR1 (0.65) TGFBR1FOLH1RIMKLANAALAD2
Ammonia Solution, Strong SCHEMBL18140275 0.81 TGFBR1 (0.62) TGFBR1FOLH1RIMKLANAALAD2
Ammonia Solution, Strong SCHEMBL18140383 0.81 TGFBR1 (0.62) TGFBR1FOLH1RIMKLANAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046289-A FOR INHIBITING COAGULATION OF BLOOD PLATELETS, INHIBITING ADHESION OF ANIMAL CELLS, OR AS SUBSTRATE FOR CULTURING ANIMAL CELLS FUJIFILM CORPORATION (JP) 2000-04-04 US disclosed
EP-0488258-B1 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO LTD (JP) 1996-04-17 EP disclosed
EP-0488258-A2 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO., LTD. (JP) 1992-06-03 EP disclosed