SCHEMBL19981405

SCHEMBL19981405

COc1cc(OC)cc(-c2cccc(C(=O)NC3CCN(P(C)(=O)OC)CC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
MCHR1 Q99705 7/20 0.49
ERN1 O75460 1/20 0.47
HPGDS O60760 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
CCR3 P51677 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL14655021 0.90 ALDH1A1 (0.49) ALDH1A1TSHRMCHR1ERN1HPGDS
SCHEMBL15871541 0.89 MCHR1 (0.48) ALDH1A1TSHRMCHR1ERN1HPGDS
SCHEMBL19981535 0.89 DRD2 (0.55) ALDH1A1TSHRMCHR1MEN1KMT2A
SCHEMBL23347871 0.88 MCHR1 (0.46) ALDH1A1TSHRMCHR1ERN1HPGDS
SCHEMBL20019688 0.86 TAS1R3 (0.49) ALDH1A1TSHRMCHR1HPGDSKMT2A
SCHEMBL16222341 0.86 ALDH1A1 (0.56) ALDH1A1TSHRMCHR1ERN1HPGDS
SCHEMBL16219434 0.84 ALDH1A1 (0.54) ALDH1A1TSHRMCHR1ERN1HPGDS
SCHEMBL19464789 0.83 TLR9 (0.58) ALDH1A1TSHRMCHR1ERN1MAPT
SCHEMBL24368189 0.83 MCHR1 (0.59) ALDH1A1TSHRMCHR1HPGDSMEN1
SCHEMBL19981430 0.82 USP2 (0.45) ALDH1A1TSHRMCHR1ERN1POLB

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-2788487-B1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA SAREPTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed
EP-2788488-B1 METHODS FOR TREATING PROGEROID LAMINOPATHIES USING OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA SAREPTA THERAPEUTICS INC (US) 2018-03-21 EP disclosed