SCHEMBL11122000

SCHEMBL11122000

CCOC(=O)c1cc(OC(C)=O)c2cc(NC(=O)c3cccc(N)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.47
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
ULK1 O75385 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PLAU P00749 1/20 0.43
POLB P06746 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
Acetic Acid SCHEMBL11122007 0.85 RAB9A (0.48) RAB9ANPC1SMN1; SMN2GAAULK1
SCHEMBL11124333 0.85 MEN1 (0.55) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL5736088 0.82 LMNA (0.50) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2825223 0.79 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL16474350 0.76 LMNA (0.50) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL14629680 0.75 PTPN11 (0.43) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL11121033 0.75 TRPV1 (0.58) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2831130 0.74 MAPT (0.50) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL3328123 0.74 HTT (0.48) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2390084 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTMAPK1LMNA

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
EP-0033831-B1 SUBSTITUTED NAPHTHOIC ACIDS AMERICAN CYANAMID COMPANY (US) 1984-04-11 EP disclosed
WO-1982003550-A1 SUBSTITUTED NAPHTHOIC ACIDS AMERICAN CYANAMID CO (US) 1982-10-28 WO disclosed
US-4291169-A UREIDOS OF SUBSTITUTED NAPHTHOIC ACID AMINES CHEMICAL INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1981-09-22 US disclosed
EP-0033831-A2 Substituted naphthoic acids AMERICAN CYANAMID COMPANY (US) 1981-08-19 EP disclosed
US-4275076-A UREIDES OF SUBSTITUTED NAPHTHOIC ACIDS AS INHIBITORS OF CONNECTIVE TISSUE DESTRUCTION AMERICAN CYANAMID COMPANY (US) 1981-06-23 US disclosed