SCHEMBL28280303

SCHEMBL28280303

O=C(C1=CCCN1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PTPN1 P18031 1/20 0.42
PIM1 P11309 1/20 0.41
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA7 P36544 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
GPR6 P46095 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
SCHEMBL2424941 0.75 KMT2A (0.55) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL181841 0.73 ALDH1A1 (0.74) MAPTALDH1A1MEN1POLBKMT2A
Piperazine SCHEMBL28327330 0.68 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATDP1CES2
SCHEMBL260930 0.67
SCHEMBL11353795 0.67 ELANE (0.41) ALDH1A1KMT2ATSHRHTTERCC5
SCHEMBL11357937 0.67 CES2 (0.46) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL11344993 0.67 DAO (0.48) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL15354269 0.66 ALDH1A1 (1.00) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL19458027 0.66 POLB (0.63) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL29061555 0.65

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
CN-109336891-A 5-(furans -2`- carbonyl) -2,3- dihydro -1H- pyrroles piperazine -7- carboxylic acid and its derivative 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2019-02-15 CN disclosed