SCHEMBL722965

SCHEMBL722965

CC(O)(C(=O)O)C(C)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
FDPS P14324 2/20 0.38
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL10472538 0.73 ALDH1A1 (0.64) LMNAALDH1A1TSHRHMGCRCHRM1
SCHEMBL606619 0.73 ALDH1A1 (0.64) LMNAALDH1A1TSHRHMGCRCHRM1
SCHEMBL10453248 0.73 ALDH1A1 (0.64) LMNAALDH1A1TSHRHMGCRCHRM1
SCHEMBL2372647 0.72 LMNA (0.50) LMNAALDH1A1TSHRFDPSPGK1
SCHEMBL7654249 0.69 LMNA (0.45) LMNAALDH1A1TSHRFDPSPGK1
SCHEMBL1336319 0.69 LMNA (0.45) LMNAALDH1A1TSHRFDPSPGK1
SCHEMBL29153273 0.69 TSHR (0.50) LMNAALDH1A1TSHRHMGCRCHRM1
SCHEMBL8838818 0.69 LMNA (0.45) LMNAALDH1A1TSHRFDPSPGK1
SCHEMBL2102481 0.67 TSHR (0.56) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL1953738 0.67 TSHR (0.56) ALDH1A1TSHRHMGCRCHRM1TBXA2R

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-2012027642-A1 BALANCED FOUR-STEP PATHWAYS TO RENEWABLE BUTANOLS GEVO, INC. (US) 2012-03-01 WO disclosed