SCHEMBL11316696

SCHEMBL11316696

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.47
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
BHMT Q93088 3/20 0.36
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
GGH Q92820 1/20 0.33

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
SCHEMBL2983921 0.79 FOLH1 (0.48) FOLH1TDP1TSHRMEN1LMNA
SCHEMBL22770 0.74 FOLH1 (0.44) FOLH1TDP1CPT2TSHRMEN1
SCHEMBL8868098 0.73 FOLH1 (0.42) FOLH1LMNA
SCHEMBL2983912 0.72 FOLH1 (0.45) FOLH1TDP1TSHRMEN1LMNA
SCHEMBL15873623 0.71 FOLH1 (0.48) FOLH1TDP1TSHRMEN1LMNA
SCHEMBL19861 0.71 CPT2 (0.46) FOLH1TDP1KDM4EFFAR1CPT2
SCHEMBL1067575 0.70 CPT2 (0.50) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL11610262 0.70 CPT2 (0.50) TDP1KDM4EFFAR1CPT2HMGCR
Hydrogen Peroxide SCHEMBL28864226 0.70 CPT2 (0.50) TDP1KDM4EFFAR1CPT2HMGCR
Hydrochloric Acid SCHEMBL8993597 0.69 KDM4E (0.50) FOLH1TDP1KDM4EFFAR1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4265769-A CORROSION RESISTANCE, ANTISCALING AGENTS CIBA-GEIGY CORPORATION (US) 1981-05-05 US disclosed
US-4208344-A CORROSION RESISTANCE, ANTISCALING AGENTS CIBA-GEIGY CORPORATION (US) 1980-06-17 US disclosed