SCHEMBL9534359

SCHEMBL9534359

O=C(O)Cc1cc2c(O)cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
DNMT1 P26358 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
EGFR P00533 2/20 0.43

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
SCHEMBL30468720 0.82 DAO (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL28577623 0.82 FLT3 (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1439650 0.82 DAO (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5694485 0.82 PBRM1 (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10824679 0.82 KDM4E (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL28589699 0.82 DAO (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12435546 0.81 MTNR1A (0.48) KDM4EALDH1A1MAPTGAATDP1
SCHEMBL10848079 0.80 ALDH1A1 (0.43) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL2648755 0.80 KDM4E (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL9587954 0.79 SMN1; SMN2 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364115-A1 NOVEL PSYCHEDELIC COMPOSITIONS, DELIVERY SYSTEMS AND THERAPEUTIC USES THEREOF MYDECINE INNOVATIONS GROUP INC (US) 2023-11-16 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed