SCHEMBL7707823

SCHEMBL7707823

CCc1[nH]c2cc(C(=O)O)cc(Cc3ccccc3Cl)c2c1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
PTGES O14684 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PLA2G2A P14555 1/20 0.38
NR4A2 P43354 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL251645 0.91 ALOX5 (0.43) ALOX5SMN1; SMN2PTGESLMNAALDH1A1
SCHEMBL8553605 0.89 ALOX5 (0.48) ALOX5SMN1; SMN2PTGESLMNAALDH1A1
SCHEMBL8557456 0.86 LMNA (0.48) ALOX5SMN1; SMN2PTGESLMNAALDH1A1
SCHEMBL8553612 0.82 PDE3B (0.43) ALOX5SMN1; SMN2LMNAPDE3BPDE3A
SCHEMBL8551585 0.81 SMN1; SMN2 (0.48) ALOX5SMN1; SMN2PTGESLMNAALDH1A1
SCHEMBL8557542 0.81 LMNA (0.42) SMN1; SMN2LMNAALDH1A1PDE3BPDE3A
SCHEMBL8551861 0.80 ALOX5 (0.41) ALOX5SMN1; SMN2PTGESLMNAALDH1A1
SCHEMBL7424550 0.79 ALOX5 (0.39) ALOX5SMN1; SMN2PTGESLMNAALDH1A1
SCHEMBL8551933 0.77 PDE3B (0.51) ALOX5SMN1; SMN2PTGESLMNAPDE3B
SCHEMBL8555747 0.76 PLK1 (0.39) ALOX5SMN1; SMN2LMNAPDE3BPDE3A

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
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed