SCHEMBL11468430

SCHEMBL11468430

CCC(=O)Oc1ccc(NCc2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.51
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
FAAH O00519 2/20 0.50
KCNQ4 P56696 1/20 0.50
KCNQ5 Q9NR82 1/20 0.50
PPARA Q07869 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
GFER P55789 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
FFAR1 O14842 1/20 0.47
HIF1A Q16665 2/20 0.46
KMT2A Q03164 2/20 0.46
ESR1 P03372 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL28219213 0.85 HIF1A (0.58) PPARASMN1; SMN2GAAMAPTFFAR1
SCHEMBL11480519 0.85 HTT (0.60) PPARASMN1; SMN2GAAMAPTFFAR1
SCHEMBL5642116 0.83 KMT2A (0.63) FAAHSMN1; SMN2KDM4EMAPTHIF1A
SCHEMBL11464615 0.80 FFAR1 (0.56) SMN1; SMN2GAAKDM4EMAPTFFAR1
SCHEMBL29336355 0.77 MAPT (0.70) CACNA1BGAAKDM4EMAPTFFAR1
Propionic Acid SCHEMBL11468427 0.76 FFAR1 (0.59) PPARASMN1; SMN2GAAKDM4EMAPT
SCHEMBL6419238 0.76 LMNA (0.61) CACNA1BSMN1; SMN2GAAKDM4EMAPT
SCHEMBL10055033 0.76 LMNA (0.61) CACNA1BSMN1; SMN2GAAKDM4EMAPT
SCHEMBL11251430 0.75 FFAR1 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2
SCHEMBL11248054 0.75 CYP4F2 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5SMN1; SMN2

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-4218475-A ANTICHOLESTEROL AGENTS THE DOW CHEMICAL COMPANY (US) 1980-08-19 US claimed