SCHEMBL10524720

SCHEMBL10524720

CCCC(=O)Oc1c2c(c(OC(=O)CCC)c3cc(Cl)ccc13)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAP3K14 Q99558 1/20 0.34
MAOB P27338 1/20 0.34
GSK3B P49841 1/20 0.34
BCL9 O00512 1/20 0.33

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
SCHEMBL10524465 0.92 ABCB11 (0.40) ABCB11KMT2AALOX15GSK3B
SCHEMBL10524715 0.85 ABCB11 (0.39) ABCB11GAAKDM4EALDH1A1GLA
SCHEMBL10525051 0.83 ABCB11 (0.64) ABCB11GAAKDM4EALDH1A1KMT2A
SCHEMBL10522819 0.83 ABCB11 (0.46) ABCB11GAAKDM4EALDH1A1GLA
SCHEMBL29371382 0.82 ABCB11 (0.50) ABCB11GAAKDM4EALDH1A1GLA
SCHEMBL10523119 0.80 ABCB11 (0.46) ABCB11KDM4EALDH1A1KMT2AHPGD
SCHEMBL10523376 0.78 ABCB11 (0.38) ABCB11GAAKDM4EALDH1A1GLA
SCHEMBL10524461 0.78 KMT2A (0.36) ABCB11KMT2AALOX15GSK3B
SCHEMBL9643611 0.77 ABCB11 (0.49) ABCB11GAAKDM4EALDH1A1GLA
SCHEMBL10522294 0.76 ABCB11 (0.42) ABCB11GAAKDM4EALDH1A1KMT2A

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-4840965-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1989-06-20 US claimed
US-4840965-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1989-06-20 US disclosed