SCHEMBL6962294

SCHEMBL6962294

C[CH]OC(=O)Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
HPGD P15428 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MGLL Q99685 1/20 0.37
HTT P42858 2/20 0.35
PLIN1 O60240 1/20 0.35
LMNA P02545 1/20 0.35
PLIN5 Q00G26 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL285027 0.80 NPC1 (0.39) FFAR1HPGDALDH1A1MAPTHSD17B10
SCHEMBL6967901 0.79 FFAR1 (0.37) FFAR1HPGDALDH1A1MAPTHSD17B10
SCHEMBL10144329 0.77 TSHR (0.46) FFAR1HPGDALDH1A1MAPTHSD17B10
SCHEMBL6962138 0.77 KCNH2 (0.38) FFAR1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL6683261 0.76 HPGD (0.46) FFAR1HPGDALDH1A1MAPTHSD17B10
Fluoride SCHEMBL27784131 0.75 TSHR (0.45) FFAR1HPGDALDH1A1MAPTHSD17B10
SCHEMBL6971147 0.74 PTGS2 (0.37) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL6832557 0.72 HPGD (0.42) FFAR1HPGDALDH1A1MAPTHSD17B10
SCHEMBL12319725 0.72 HPGD (0.42) FFAR1HPGDALDH1A1MAPTHSD17B10
SCHEMBL6968617 0.72 HPGD (0.42) FFAR1HPGDALDH1A1MAPTHSD17B10

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed