SCHEMBL11297051

SCHEMBL11297051

O=C(O)C(=O)OC(CN1CCCC1)C1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35
RAD52 P43351 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
ATM Q13315 1/20 0.34

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
Oxalic Acid SCHEMBL11297048 0.82 RAD52 (0.43) POLBKMT2AMEN1MAPK1GAA
SCHEMBL11297617 0.78 MAOB (0.42) POLBKMT2AMEN1GAAALDH1A1
SCHEMBL11287307 0.77 MAOB (0.44) POLBKMT2AMEN1MAPK1ALDH1A1
SCHEMBL11295491 0.70 MTNR1A (0.36) OPRM1
SCHEMBL11544999 0.68 AKR1C1 (0.37) KMT2AMEN1GAASMN1; SMN2HTT
SCHEMBL11289721 0.66 ALDH1A1 (0.42) KMT2AMAPK1GAAALDH1A1KDM4E
SCHEMBL11289410 0.64
SCHEMBL11503128 0.64 SLC6A2 (0.31) SLC6A2SLC6A3
SCHEMBL11295572 0.64 LMNA (0.37) KMT2ALMNACYP1A2CYP2C19
SCHEMBL11290081 0.64 IDO1 (0.32) SLC6A2SLC6A3

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
EP-0000825-B1 GEMINALLY DISUBSTITUTED INDENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Kabi AB (SE) 1982-04-14 EP disclosed