SCHEMBL7418610

SCHEMBL7418610

CCCc1cc2ccc(CC(=O)O)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
DAO P14920 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
TSHR P16473 3/20 0.40
GAA P10253 3/20 0.40
NFKB1 P19838 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL10646766 0.87 KDM4E (0.47) ALDH1A1KDM4EDAOMTNR1AMTNR1B
SCHEMBL7418770 0.85 MTNR1A (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL7469548 0.83 KDM4E (0.42) ALDH1A1HSD17B10KDM4EMAPTMEN1
SCHEMBL7423385 0.82 MTNR1A (0.43) PPARGALDH1A1HSD17B10KDM4EMAPT
SCHEMBL8802023 0.79 PPARG (0.49) PPARGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5981755 0.79 CASP3 (0.51) PPARGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL17592476 0.76 PTGS1 (0.62) PPARGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5974148 0.75 PPARG (0.57) PPARGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL16412569 0.73 KDM4E (0.54) PPARGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL27475142 0.73 MAPT (0.51) ALDH1A1HPGDHSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed