SCHEMBL9686091

SCHEMBL9686091

CCCCOc1ccc(C(C)NC(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.58
ACACA Q13085 8/20 0.56
ALOX5 P09917 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
PDE4A P27815 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL9685836 0.79 ACACB (0.66) ACACBACACAALOX5
SCHEMBL12001374 0.75 ACACB (0.92) ACACBACACA
SCHEMBL27513379 0.74 GPR88 (0.57) SMN1; SMN2MAPK1
SCHEMBL254946 0.74 MAPK1 (0.58) SMN1; SMN2MAPK1
SCHEMBL256332 0.73 ACACB (1.00) ACACBACACA
SCHEMBL12001364 0.73 ACACB (1.00) ACACBACACA
SCHEMBL14599721 0.73 GPR88 (0.59) SMN1; SMN2MAPK1
SCHEMBL10705448 0.73 ALOX5 (0.59) ACACBALOX5HDAC10HDAC6
SCHEMBL8120294 0.72 HDAC10 (0.60) SMN1; SMN2MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL15542046 0.72 SMN1; SMN2 (0.55) ACACBACACASMN1; SMN2MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 WO claimed
US-5175183-A Antiinflammatory agents, respiratory system disorders ABBOTT LABORATORIES (US) 1992-12-29 US disclosed
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 WO disclosed