SCHEMBL8072839

SCHEMBL8072839

CCN(CC)c1ccc(C(C)=O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 9/20 0.52
MAOB P27338 6/20 0.52
USP2 O75604 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 9/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 4/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 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
SCHEMBL22939653 0.87 MEN1 (0.77) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL4743736 0.86 MEN1 (0.80) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL503775 0.86 MEN1 (0.75) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL22939650 0.81 MEN1 (0.69) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL7615298 0.81 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL27913467 0.81 MEN1 (0.89) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3878895 0.81 ALDH1A1 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL22939520 0.81 MEN1 (0.69) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL26054313 0.81 MEN1 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3363287 0.81 MEN1 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021176428-A1 PHENANTHROLINE, CARBAZOLE AND FLAVYLIUM BASED CYANINES AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2021-09-10 WO claimed
WO-2021176428-A1 PHENANTHROLINE, CARBAZOLE AND FLAVYLIUM BASED CYANINES AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2021-09-10 WO disclosed
US-6096918-A USEFUL FOR THE DELIVERY OF ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES, MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS. THEY CAN ALSO DELIVER FLUORESCENT WHITENING AGENTS. GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-08-01 US disclosed
EP-0936211-A2 Aryl-acrylic acid esters useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 1999-08-18 EP disclosed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed