SCHEMBL9842102

SCHEMBL9842102

Cn1nccc1Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
LRRK2 Q5S007 1/20 0.39
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL9123012 0.80 KMT2A (0.38) ALDH1A1GAATDP1LRRK2POLB
SCHEMBL7843954 0.79 ALDH1A1 (0.37) ALDH1A1GAATDP1CA2CA1
SCHEMBL3892753 0.77 HPGDS (0.49) ALDH1A1GAATDP1KMT2ALMNA
SCHEMBL8555923 0.74 PDE2A (0.44) ALDH1A1GAATDP1CA2POLB
SCHEMBL18459329 0.74 CA2 (0.61) ALDH1A1GAATDP1CA2CA1
SCHEMBL10984928 0.73 CA2 (0.52) ALDH1A1CA2CA1POLBTYR
SCHEMBL25378973 0.70 KMT2A (0.43) ALDH1A1GAATDP1LRRK2POLB
SCHEMBL21587942 0.70 MAPK1 (0.42) LRRK2
SCHEMBL9841885 0.69 ALDH1A1 (0.47) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841649 0.69 ALDH1A1 (0.44) ALDH1A1GAATDP1CA2CA1

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
EP-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP claimed
US-5059598-A Antiinflammatory agents; lipoxygenase inhibitors; arthritis; asthma OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-10-22 US disclosed
US-4868183-A ANTIINFLAMMATORY, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-09-19 US disclosed