SCHEMBL12475140

SCHEMBL12475140

CC1(C)CCC(=O)C(C(=O)O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
APLNR P35414 1/20 0.32
FFAR3 O14843 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6864853 0.83 ALDH1A1 (0.33) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL12475270 0.77
SCHEMBL12475125 0.77
SCHEMBL8054703 0.71 CA1 (0.30)
SCHEMBL1177456 0.70
SCHEMBL9700492 0.69 EGLN1 (0.33) KDM4EPOLBTSHR
SCHEMBL8161986 0.68 MAPT (0.45) MAPT
SCHEMBL7350816 0.68 SLC6A3 (0.44) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL5911681 0.68 KMT2A (0.49) ALDH1A1POLBMAPTTSHR
SCHEMBL11304206 0.67 ALDH1A1 (0.59) KDM4EALDH1A1POLBMAPTTSHR

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
EP-2673272-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2013-12-18 EP disclosed
WO-2012107477-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-08-16 WO disclosed