SCHEMBL11522683

SCHEMBL11522683

CCN(CC)c1cccc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 1/20 0.51
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL25024364 0.87 LOXL2 (0.50) LOXL2ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL1574716 0.85 CYP4F2 (0.52) ALDH1A1CYP3A4CYP4F2CYP4A11MAPT
SCHEMBL1574197 0.85 LOXL2 (0.51) LOXL2ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL11801026 0.84 L3MBTL1 (0.48) LOXL2ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL7384531 0.84 ALDH1A1 (0.58) LOXL2ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL26144269 0.83 LOXL2 (0.49) LOXL2ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL7384565 0.83 LOXL2 (0.49) LOXL2ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL3509155 0.82 KDM4E (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL2742811 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL21377435 0.81 PTPN1 (0.64) LOXL2ALDH1A1CYP4F2CYP4A11MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
US-4153413-A DYEING POLYESTER OR CELLULOSE TRIACETATE WITH A DISPERSE AZO DYESTUFF, HEAT TREATMENT, PADDING, PRINTING IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-08 US disclosed