SCHEMBL4283885

SCHEMBL4283885

CCCC(=O)OC(C(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ENPP2 Q13822 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2976621 0.80 POLB (0.40) LMNAALDH1A1POLBCYP3A4CYP2C9
SCHEMBL3633847 0.76 POLB (0.42) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2637224 0.76 POLB (0.42) LMNAALDH1A1POLBCYP3A4CYP2C9
SCHEMBL6493288 0.75 POLB (0.39) LMNAALDH1A1POLBCYP3A4CYP2C9
SCHEMBL5550657 0.73 POLB (0.40) ALDH1A1POLBCYP3A4CYP2C9CYP2C19
SCHEMBL6483365 0.72 CYP3A4 (0.39) ALDH1A1POLBCYP3A4CYP2C9CYP2C19
SCHEMBL2976897 0.71 SMN1; SMN2 (0.50) LMNAALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL10006209 0.70 POLB (0.38) LMNAALDH1A1POLBCYP3A4CYP2C9
SCHEMBL11872917 0.70 LMNA (0.42) LMNAALDH1A1LPAR3LPAR1SMN1; SMN2
SCHEMBL6496046 0.70 LPAR3 (0.44) LPAR3LPAR1

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
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed