SCHEMBL2564115

SCHEMBL2564115

CCOC(=O)C(NCc1ccc(OC)cc1OC)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.55
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL2998236 0.85 APLNR (0.59) APLNRALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL15387247 0.84 APLNR (0.49) APLNRALDH1A1POLBTDP1MAPT
SCHEMBL23888458 0.82 APLNR (0.50) APLNRALDH1A1POLBTDP1MAPT
SCHEMBL13402596 0.81 APLNR (0.58) APLNRALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL491054 0.79 ALDH1A1 (0.51) APLNRALDH1A1POLBTDP1MAPT
SCHEMBL523291 0.78 APLNR (0.63) APLNRALDH1A1POLBTDP1MAPT
SCHEMBL884338 0.78 ALDH1A1 (0.58) APLNRALDH1A1POLBTDP1MAPT
SCHEMBL7443431 0.78 APLNR (0.55) APLNRALDH1A1POLBTDP1MAPT
SCHEMBL28662641 0.78 APLNR (0.55) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL31649081 0.78 APLNR (0.55) APLNRALDH1A1TSHRTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
US-5633243-A Anti-tumor platinum complexes, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1997-05-27 US disclosed
US-5527905-A RELATIVELY FEW SIDE EFFECTS, GOOD SOLUBILITY IN WATER SANKYO COMPANY, LIMITED (JP) 1996-06-18 US disclosed
EP-0290280-A2 Anti-tumor platinum complexes, their preparation and their therapeutic use Sankyo Company Limited (JP) 1988-11-09 EP disclosed
US-4587049-A Azetidinone acetic acid derivatives and process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1986-05-06 US disclosed
US-4435322-A Heterocyclic compounds containing an alkoxycarbonyl and a substituted methyl group RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-03-06 US disclosed
US-4432901-A CHEMICAL INTERMEDIATE FOR PENICIULINS, THIENAMYCINS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-02-21 US disclosed