SCHEMBL8850313

SCHEMBL8850313

O=C(O)CCCn1ccc(=O)c(O)c1C(O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.40
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
FFAR1 O14842 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
FOLH1 Q04609 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 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
SCHEMBL8850201 0.89 FABP4 (0.40) KMT2ACYP2D6PTGDR2FABP4FABP5
SCHEMBL8851069 0.88 KDM4E (0.36) TBXA2RKMT2ACYP2D6PTGDR2FABP4
SCHEMBL6194787 0.85 KMT2A (0.38) TBXA2RFFAR1KMT2ACYP2D6ALDH1A1
SCHEMBL8851024 0.85 TNF (0.46) LMNA
SCHEMBL6196542 0.84 KMT2A (0.33) MAPK14KMT2ACYP2D6ALDH1A1NPSR1
SCHEMBL8850682 0.82 CYP1A2 (0.40) KMT2APTGDR2ALDH1A1FABP4FABP5
SCHEMBL8850489 0.80 SMN1; SMN2 (0.49) KMT2APTGDR2ALDH1A1NPSR1
SCHEMBL6198544 0.80 KDM4E (0.35) KMT2ACYP2D6ALDH1A1NPSR1
SCHEMBL27515247 0.76 SMN1; SMN2 (0.48) KMT2ACYP2D6PTGDR2ALDH1A1NPSR1
SCHEMBL6200311 0.75 KDM4E (0.45) KMT2AALDH1A1

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
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed