SCHEMBL7793219

SCHEMBL7793219

COc1ccc2c(c1)C(C(=O)O)c1cc(OC)ccc1N2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.41
SNCA P37840 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NOTUM Q6P988 1/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
HSPA1A P0DMV8 1/20 0.39
PTPN7 P35236 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7797022 0.93 HDAC4 (0.49) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7755171 0.85 SNCA (0.42) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7793833 0.84 HDAC4 (0.49) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7787061 0.77 MAPT (0.37) ALDH1A1MAPTSMN1; SMN2HSD17B10PTGDR2
SCHEMBL38665317 0.77 ALDH1A1 (0.39) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL38664719 0.77 ATM (0.40) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7787073 0.75 ALDH1A1 (0.38) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7592240 0.75 MAPT (0.41) ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL8741716 0.74 SMN1; SMN2 (0.39) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL38664476 0.74 LPAR1 (0.41) LMNAALDH1A1CYP1A2CYP3A4CYP2D6

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
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP claimed