SCHEMBL7922301

SCHEMBL7922301

CCON=C(C(=O)OCC)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.43
CYP19A1 P11511 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KYAT1 Q16773 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL7622033 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAATDP1POLB
SCHEMBL7622030 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAATDP1POLB
SCHEMBL8020305 0.83 POLB (0.46) SMN1; SMN2POLBMAPTTSHRHTT
SCHEMBL8020309 0.83 POLB (0.46) SMN1; SMN2POLBMAPTTSHRHTT
SCHEMBL1525403 0.78 CES2 (0.57) SMN1; SMN2ALDH1A1GAATDP1POLB
SCHEMBL8148687 0.77 MAPT (0.44) SMN1; SMN2ALDH1A1GAATDP1MAPT
SCHEMBL8148685 0.77 MAPT (0.44) SMN1; SMN2ALDH1A1GAATDP1MAPT
SCHEMBL3853475 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1GAATDP1POLB
SCHEMBL31752334 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAATDP1POLB
SCHEMBL3853477 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1GAATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225334-B1 AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed