SCHEMBL8197604

SCHEMBL8197604

COc1c(-c2ccccc2)ccc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
ACLY P53396 1/20 0.42
HNF4A P41235 1/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
PDE4B Q07343 2/20 0.41
FOLH1 Q04609 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40

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
SCHEMBL6535902 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTDP1HTTALDH1A1
SCHEMBL14689569 0.83 MAPT (0.60) SMN1; SMN2MAPTTDP1HTTACLY
SCHEMBL28930303 0.81 IGF2BP2 (0.41) TDP1ALDH1A1ACLYHNF4AFOLH1
SCHEMBL6974190 0.80 ALDH1A1 (0.49) SMN1; SMN2PDCD1CD274ALDH1A1ACLY
SCHEMBL4632581 0.79 HNF4A (0.58) SMN1; SMN2HTTALDH1A1HNF4AIKBKB
SCHEMBL30394743 0.79 HNF4A (0.58) SMN1; SMN2HTTALDH1A1HNF4AIKBKB
SCHEMBL28694563 0.78 PKM (0.55) SMN1; SMN2MAPTTDP1HTTALDH1A1
SCHEMBL8570517 0.78 HTT (0.45) MAPTPDCD1CD274HTTALDH1A1
SCHEMBL17799595 0.78 HNF4A (0.56) SMN1; SMN2HTTALDH1A1HNF4AIKBKB
SCHEMBL28213739 0.78 HTT (0.47) SMN1; SMN2MAPTHTTALDH1A1CHEK1

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-6090817-A Phenylpyridine derivatives useful as phosphodiesterase inhibitors NOVARTIS AG (CH) 2000-07-18 US disclosed