SCHEMBL10880225

SCHEMBL10880225

CC(C)OP(=O)(OC(C)C)C(CCO)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31
GABRQ Q9UN88 2/20 0.31
GPR84 Q9NQS5 4/20 0.31
CTSA P10619 1/20 0.30
ACHE P22303 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
SCHEMBL10877254 0.81 LMNA (0.34) GPR84
SCHEMBL6016751 0.75 HMGCR (0.39) POLBCTSAACHEKDM4E
SCHEMBL8383303 0.72 HMGCR (0.40) POLBCTSAACHE
SCHEMBL11227702 0.72 FOLH1 (0.43)
SCHEMBL8383711 0.71 HMGCR (0.39) CTSAACHE
SCHEMBL5327876 0.70 FOLH1 (0.42) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL5328861 0.69 HMGCR (0.38) CTSAACHE
SCHEMBL28398422 0.69 ALDH1A1 (0.36) POLBCTSAACHE
SCHEMBL8385734 0.69 ALDH1A1 (0.44) GPR84
SCHEMBL11546852 0.69 POLB (0.33) POLBCTSAACHE

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-4585703-A MELAMINE RESIN AND PHOSPHONATE FIREPROOFING AGENT DAINIPPON INK & CHEMICALS, INC. (JP) 1986-04-29 US claimed