SCHEMBL20529586

SCHEMBL20529586

CCCC(=O)OC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
MTNR1A P48039 2/20 0.57
LMNA P02545 2/20 0.57
PDPK1 O15530 1/20 0.56
NPC1 O15118 1/20 0.55

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
SCHEMBL22076498 0.94 MAPT (0.64) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL22076496 0.94 MAPT (0.67) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL28736744 0.87 PKM (0.68) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL10676155 0.86 SMN1; SMN2 (0.68) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL392573 0.86 SMN1; SMN2 (0.85) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL28863418 0.85 SMN1; SMN2 (0.75) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
Methyl 3-(3-Indolylmethyl)Propanoate SCHEMBL290808 0.85 MAPT (0.71) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL23970011 0.84 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL10031559 0.84 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL12966475 0.83 SMN1; SMN2 (0.67) MAPTMEN1KMT2ASMN1; SMN2CYP1A2

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-3606325-A1 RATIONAL DESIGN OF MICROBIAL-BASED BIOTHERAPEUTICS Gusto Global, LLC (US) 2020-02-12 EP disclosed
WO-2018187272-A1 RATIONAL DESIGN OF MICROBIAL-BASED BIOTHERAPEUTICS GUSTO GLOBAL, LLC (US) 2018-10-11 WO disclosed