SCHEMBL9499012

SCHEMBL9499012

COc1ccc2c(ccc(=O)n2O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GSTP1 P09211 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 2/20 0.46
HTR2C P28335 1/20 0.45
PTGS2 P35354 3/20 0.45
PTGS1 P23219 3/20 0.45
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
TSHR P16473 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 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
SCHEMBL9499453 0.88 SMN1; SMN2 (0.45) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6074279 0.84 BRPF1 (0.59) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4049057 0.77 GRIK1 (0.55) KDM4ESMN1; SMN2GSTP1HTR2CMTNR1A
SCHEMBL9494686 0.77 RXFP1 (0.50) KDM4EALDH1A1CYP1A2CYP2A6HTR2C
SCHEMBL8463444 0.76 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9497513 0.76 LCK (0.48) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8368861 0.75 PTGS1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9156616 0.74 POLB (0.51) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8366395 0.74 MAPT (0.52) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2797929 0.73 KMT2A (0.48) L3MBTL1ALDH1A1HPGDSMN1; SMN2HSD17B10

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-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 EP disclosed
US-4761403-A QUINOLONE DERIVATIVES ABBOTT LABORATORIES (US) 1988-08-02 US disclosed
EP-0240859-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1987-10-14 EP disclosed