SCHEMBL11036002

SCHEMBL11036002

C=C(F)CC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.38
MMP8 P22894 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
PIN1 Q13526 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8950430 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL2352654 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL16720975 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL7256892 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL27968064 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL16720977 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL28867352 0.77 THRB (0.42) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL7067240 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL430204 0.75 MGAM (0.52) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL3311455 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59161413-A None JP disclosed
US-4558152-A COPOLYMERS USEFUL FOR WATERPROFFING AND AS OIL REPELLANTS AND ANTISOLILANTS DAIKIN KOGYO COMPANY LIMITED (JP) 1985-12-10 US disclosed
US-4547558-A WATERPROOFING, ANTISOILANTS, OR OIL REPELLENTS DAIKIN KOGYO COMPANY LIMITED (JP) 1985-10-15 US disclosed
JP-S59161413-A FLUOROACRYLIC ACID COPOLYMER DAIKIN IND LTD 1984-09-12 JP disclosed