SCHEMBL3898740

SCHEMBL3898740

CCC(C)C(=CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL813214 0.86 ITGB1 (0.36) TSHRITGB1ITGA5
SCHEMBL10451868 0.86 ITGB1 (0.36) TSHRITGB1ITGA5
SCHEMBL3901087 0.86 ITGB1 (0.36) TSHRITGB1ITGA5
SCHEMBL9359856 0.83 GABRR1 (0.35) ITGB1ITGA5
SCHEMBL9359845 0.83 GABRR1 (0.35) ITGB1ITGA5
SCHEMBL93072 0.81 FOLH1 (0.35) TSHR
Styrene SCHEMBL28030333 0.80 ALDH1A1 (0.41) TSHR
SCHEMBL27386188 0.80 GABRR1 (0.37) KDM4ETSHRITGB1ITGA5
SCHEMBL7155216 0.79 CA2 (0.37) KDM4ETSHR
SCHEMBL3884471 0.79 FOLH1 (0.30)

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-1208135-B1 IN-SITU PREPARATION OF POLYASPARTIC ESTER MIXTURE BAYER AG (US) 2003-10-01 EP claimed
US-7550206-B2 Phosphonic acid-modified microgel dispersion BOLLIG & KEMPER GMBH & CO. KG (DE) 2009-06-23 US disclosed
US-20060128887-A1 Phosphonic acid-modified microgel dispersion BOLLIG & KEMPER GMBH & CO. KG (DE) 2006-06-15 US disclosed
US-6939658-B2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2005-09-06 US disclosed
US-20040086799-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2004-05-06 US disclosed