SCHEMBL9538272

SCHEMBL9538272

COCO[C@H](CCCl)COC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SLC1A5 Q15758 1/20 0.39
PRKCA P17252 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL295552 0.89 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL12482627 0.85 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL27933652 0.77 ALDH1A1 (0.54) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL9463830 0.77 GAA (0.46) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL12190874 0.76 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL9463905 0.76 HPGD (0.50) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL295187 0.76 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL9463750 0.76 ADRB2 (0.51) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL9935576 0.75 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL9463824 0.74 ADRB2 (0.52) ALDH1A1ADRB2ADRB1ADRB3LMNA

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
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO claimed
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO disclosed