SCHEMBL9626243

SCHEMBL9626243

COc1ccc(C(O[C]=O)C(=O)OCc2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
NR4A2 P43354 1/20 0.40
MAPK8 P45983 1/20 0.40
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
CASR P41180 1/20 0.39
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL1521950 0.83 CA1 (0.50) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL6285272 0.81 CNR2 (0.50) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL5183992 0.80 ATM (0.55) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1
SCHEMBL9333122 0.76 L3MBTL1 (0.40) MAOBMAOAMAPTRAB9ANPC1
SCHEMBL7216770 0.76 FFAR1 (0.53) ALDH1A1POLBKMT2A
SCHEMBL5484162 0.76 ALDH1A1 (0.49) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL7688321 0.75 GAA (0.43) MAPTRAB9AKMT2APKMMEN1
SCHEMBL11650986 0.75 FFAR1 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1
SCHEMBL10549693 0.72 RAB9A (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1POLB
SCHEMBL7278760 0.72 GAA (0.53) MAOBALDH1A1MAPTRAB9AKMT2A

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
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed