SCHEMBL9729192

SCHEMBL9729192

COc1ccccc1[C@H](C)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ACHE P22303 1/20 0.49
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CXCL8 P10145 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LPAR1 Q92633 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL4554195 1.00 KMT2A (0.53) KMT2ACA1CA2CA12CA4
SCHEMBL7330787 0.85 IRAK4 (0.59) KMT2AACHEHTTCXCL8KDM4E
SCHEMBL29386813 0.84 CA1 (0.54) KMT2ACA1CA2CA12CA4
SCHEMBL27534818 0.84 KMT2A (0.52) KMT2ACA1CA2CA12CA4
SCHEMBL306964 0.84 CA1 (0.54) KMT2ACA1CA2CA12CA4
SCHEMBL9321170 0.83 CXCL8 (0.54) KMT2ACA1CA2POLBL3MBTL1
SCHEMBL7885098 0.82 PTGS2 (0.64) KMT2ACA1CA2CA12CA4
SCHEMBL15695551 0.82 PTGS1 (0.51) KMT2ACA1CA2CA12CA4
SCHEMBL8473051 0.82 PTGS2 (0.64) KMT2ACA1CA2CA12CA4
SCHEMBL362211 0.82 PTGS2 (0.64) KMT2ACA1CA2CA12CA4

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-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed