SCHEMBL8337882

SCHEMBL8337882

CC(O)C(=O)CCCc1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.53
PTGS2 P35354 1/20 0.46
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
FFAR1 O14842 3/20 0.42
BRD4 O60885 2/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 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
SCHEMBL8334717 0.93 FFAR4 (0.58) FFAR4PTGS2MMP12MMP13FFAR1
SCHEMBL3992963 0.79 FFAR4 (0.78) FFAR4FFAR1
SCHEMBL8337256 0.78 FFAR1 (0.60) FFAR4MMP12MMP13FFAR1PLAAT3
SCHEMBL3994081 0.78 FFAR4 (0.60) FFAR4PTGS2FFAR1BRD4SLC13A5
SCHEMBL6998595 0.77 HDAC1 (0.60) ALDH1A1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7236617 0.73 SLC13A5 (0.62) FFAR4FFAR1SLC13A5PPARGPPARA
SCHEMBL10416276 0.72 ALOX5 (0.60) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL3998350 0.71 PTGS2 (0.58) FFAR4PTGS2FFAR1BRD4KMT2A
Bicarbonate SCHEMBL28250947 0.71 NCOA1 (0.65) FFAR4PTGS2FFAR1BRD4
Alanine SCHEMBL3995410 0.71 NCOA1 (0.57) FFAR4PTGS2FFAR1BRD4ALDH1A1

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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed