SCHEMBL9686870

SCHEMBL9686870

CN(CCOC(=O)/C=C/C(=O)O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
POLB P06746 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
PKM P14618 1/20 0.66
RECQL P46063 1/20 0.66
CACNA1B Q00975 1/20 0.66
APBA1 Q02410 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
HCAR2 Q8TDS4 2/20 0.61
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL15512374 0.90 ALDH1A1 (0.65) ALDH1A1POLBTDP1GAAMAPT
SCHEMBL15499938 0.90 ALDH1A1 (0.65) ALDH1A1POLBTDP1GAAMAPT
SCHEMBL16435297 0.90 ALDH1A1 (0.65) ALDH1A1POLBTDP1GAAMAPT
Hydrochloric Acid SCHEMBL15512665 0.89 ALDH1A1 (0.63) ALDH1A1POLBTDP1GAAMAPT
Hydrochloric Acid SCHEMBL15512666 0.89 ALDH1A1 (0.63) ALDH1A1POLBTDP1GAAMAPT
SCHEMBL28391662 0.87 ALDH1A1 (0.60) ALDH1A1POLBTDP1GAAMAPT
Hydrochloric Acid SCHEMBL28178151 0.86 ALDH1A1 (0.59) ALDH1A1POLBTDP1GAAMAPT
SCHEMBL9784820 0.84 SMN1; SMN2 (0.63) ALDH1A1POLBTDP1GAAMAPT
Dibemethine SCHEMBL9416520 0.81 NPC1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
Dibemethine SCHEMBL9416516 0.81 NPC1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1

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-0385422-B1 1,4-DIHYDRO-5-ISOPROPOXY-2-METHYL-4-(2-TRIFLUORMETHYLPHENYL)-1,6-NAPHTHYRIDINE-3-CARBOXYACID-(2-(N-METHYL-N-PHENYLMETHYL-AMINO)-ETHYL)ESTER FUMARATE GÖDECKE AKTIENGESELLSCHAFT (DE) 1992-07-29 EP claimed
US-5039679-A Cardiovascular disorders GOEDECKE AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed