SCHEMBL8938153

SCHEMBL8938153

Cc1cccc(C(O)CNCCONC(=O)Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRB3 P13945 8/20 0.43
ADRB1 P08588 3/20 0.43
ADRB2 P07550 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 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
SCHEMBL8938126 0.84 ALOX15 (0.53) ALOX15SMN1; SMN2ALDH1A1ADRB3ADRB1
Hydrochloric Acid SCHEMBL8938103 0.84 ALOX15 (0.48) ALOX15ALDH1A1KDM4EGAAMEN1
SCHEMBL9192309 0.78 ALOX15 (0.76) ALOX15SMN1; SMN2ADRB3ADRB1KDM4E
SCHEMBL8938149 0.78 ALDH1A1 (0.45) ALOX15SMN1; SMN2ALDH1A1ADRB3ADRB1
SCHEMBL9193546 0.77 ALOX15 (0.61) ALOX15ADRB3ADRB1ADRB2
SCHEMBL8938122 0.77 ALDH1A1 (0.47) ALOX15SMN1; SMN2ALDH1A1ADRB3ADRB1
SCHEMBL11741392 0.73 HIF1A (0.49) SMN1; SMN2ALDH1A1ADRB3ADRB1ADRB2
SCHEMBL8938142 0.73 DRD4 (0.50) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL12186423 0.71 HIF1A (0.50) ALDH1A1ADRB3ADRB1ADRB2KDM4E
SCHEMBL8938143 0.71 ADRB3 (0.60) ALOX15ADRB3ADRB1

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed