SCHEMBL7999764

SCHEMBL7999764

COc1ccc(CCCC[C@H](CC(C)=O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
ALOX5 P09917 1/20 0.48
CALM1 P0DP23 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
F2RL1 P55085 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8002992 0.87 PTGES (0.51) ALOX5MMP1MMP3SMN1; SMN2ALDH1A1
SCHEMBL10643738 0.84 LDHA (0.54) LDHAALOX5CALM1MMP2MMP3
SCHEMBL5702592 0.81 LDHA (0.46) LDHAALOX5CALM1MMP1MMP2
SCHEMBL9864987 0.81 LDHA (0.51) LDHAALOX5CALM1MMP2MMP3
SCHEMBL10420479 0.81 LDHA (0.55) LDHAALOX5CALM1SMN1; SMN2IGF1R
SCHEMBL156654 0.81 LDHA (0.51) LDHAALOX5CALM1MMP2MMP3
SCHEMBL27712878 0.81 LDHA (0.54) LDHAALOX5CALM1MMP1MMP2
SCHEMBL1856418 0.80 ALDH1A1 (0.56) LDHAALOX5MMP1MMP2MMP3
SCHEMBL9864938 0.80 LDHA (0.50) LDHAALOX5CALM1MMP1MMP2
SCHEMBL28463903 0.79 KIF11 (0.53) LDHAALOX5CALM1IGF1RALOX15

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
WO-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed