SCHEMBL11296838

SCHEMBL11296838

O=C(O)CCC(Cc1ccccc1)(C(=O)O)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.43
HIF1A Q16665 1/20 0.43
KEAP1 Q14145 1/20 0.43
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
FFAR1 O14842 1/20 0.41
PTPN1 P18031 2/20 0.40

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
SCHEMBL413306 0.86 FDPS (0.60) FDPSSMN1; SMN2HIF1APTPN1PTPRC
SCHEMBL5362392 0.83 FDPS (0.53) FDPSSMN1; SMN2HIF1AKEAP1PTPN1
SCHEMBL9495952 0.78 MEN1 (0.39)
SCHEMBL7432415 0.74 SMN1; SMN2 (0.50) FDPSSMN1; SMN2HIF1AKEAP1HDAC3
SCHEMBL8528147 0.74 FDPS (0.46) FDPSSMN1; SMN2HIF1APTPN1PTPRC
SCHEMBL22514 0.73 ALDH1A1 (0.35) HIF1ACYP2C19
SCHEMBL25187865 0.72 ALDH1A1 (0.34) HIF1ACYP2C19
SCHEMBL10336350 0.72 ALDH1A1 (0.34) HIF1ACYP2C19
Ammonia Solution, Strong SCHEMBL10535721 0.72 ALDH1A1 (0.34) HIF1ACYP2C19
Hydrochloric Acid SCHEMBL10759462 0.72 ALDH1A1 (0.34) HIF1ACYP2C19

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
US-4351796-A Method for scale control CIBA-GEIGY CORPORATION (US) 1982-09-28 US disclosed
EP-0008640-B1 METHOD FOR THE REMOVAL OF HYDROGEN SULFIDE FROM GASES OR LIQUID HYDROCARBONS AND GASES OR LIQUID HYDROCARBONS THUS PURIFIED CIBA-GEIGY AG (CH) 1981-09-16 EP disclosed
US-4251492-A REMOVAL OF HYDROGEN SULFIDE FROM GASES OR LIQUID HYDROCARBONS USING A PHOSPHONIC ACID COMPOUND SEQUESTERING AGENT CIBA-GEIGY CORPORATION (US) 1981-02-17 US disclosed
EP-0008640-A1 Method for the removal of hydrogen sulfide from gases or liquid hydrocarbons and gases or liquid hydrocarbons thus purified CIBA-GEIGY AG (CH) 1980-03-19 EP disclosed