SCHEMBL18985374

SCHEMBL18985374

CC(C)C(C)C.O=C(O)CCP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.52
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM7 Q14831 1/20 0.44
GRM4 Q14833 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.43
CTSC P53634 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL23648 0.89
Ammonia Solution, Strong SCHEMBL28215144 0.87 FOLH1 (0.52) FOLH1GRM8GRM6GRM7GRM4
Water SCHEMBL28860761 0.87 FOLH1 (0.52) FOLH1GRM8GRM6GRM7GRM4
SCHEMBL11089864 0.87 FOLH1 (0.52) FOLH1GRM8GRM6GRM7GRM4
Hydrochloric Acid SCHEMBL28145400 0.87 FOLH1 (0.52) FOLH1GRM8GRM6GRM7GRM4
Butane SCHEMBL7716762 0.85 FFAR3 (0.50) FOLH1TDP1MEN1TSHRKMT2A
Benzene SCHEMBL28265143 0.84 FOLH1 (0.50) FOLH1GRM8GRM6GRM7GRM4
SCHEMBL28696904 0.79 ALDH1A1 (0.43) FOLH1GRM8GRM6GRM7GRM4
Hexane SCHEMBL27503551 0.79 LPAR3 (0.58) TDP1MEN1TSHRKMT2AALDH1A1
SCHEMBL2290779 0.78 CTSC (0.49) FOLH1GRM8GRM6GRM7GRM4

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
WO-2017100849-A1 6-OXOPURINE PHOSPHORIBOSYL TRANSFERASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2017-06-22 WO disclosed