SCHEMBL7966269

SCHEMBL7966269

Cc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL6932932 0.90 MDM2 (0.38) ACHEHSD17B10MMP2MMP9MMP8
SCHEMBL7956300 0.85 LMNA (0.43) LMNASMN1; SMN2HSD17B10MAPTNPSR1
SCHEMBL6932670 0.81 MDM2 (0.38) SMN1; SMN2HTTMAPTPOLBMDM2
SCHEMBL7968407 0.79 POLB (0.46) LMNASMN1; SMN2HTTMMP2MMP9
SCHEMBL7972386 0.77 MAPT (0.40) LMNASMN1; SMN2ACHEHSD17B10MMP2
SCHEMBL7968467 0.77 MAPT (0.39) LMNAHTTMAPTPOLBALDH1A1
SCHEMBL7971858 0.75 MCL1 (0.38) LMNAMAPTNPSR1POLBALOX12
SCHEMBL7586371 0.74 AKR1C2 (0.41) LMNASMN1; SMN2MAPTNPSR1POLB
SCHEMBL7539856 0.74 ABCG2 (0.37) MAPTPOLBRAB9ACA9
SCHEMBL6934449 0.74 AKR1C2 (0.41) LMNASMN1; SMN2MAPTNPSR1POLB

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed