SCHEMBL13864930

SCHEMBL13864930

COC(=O)c1cc(C)c(C(=O)Oc2ccc(C(c3ccc(C)c(C)c3)(C(F)(F)F)C(F)(F)F)cc2C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ IDH1 O75874 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
SCHEMBL13864956 0.89 CFTR (0.38) CFTRNOTUMMAPTALDH1A1MGLL
SCHEMBL13864931 0.89 NOTUM (0.46) NOTUMMAPTALDH1A1MGLLLMNA
SCHEMBL13864977 0.88 KDM4E (0.40) CFTRNOTUMMAPTALDH1A1LMNA
SCHEMBL13864947 0.84 NOTUM (0.44) CFTRNOTUMMAPTALDH1A1MGLL
SCHEMBL13865020 0.83 NOTUM (0.43) NOTUMMAPTMGLLMRGPRX4KDM4E
SCHEMBL13864955 0.79 ALDH1A1 (0.42) CFTRMAPTALDH1A1LMNAKDM4E
SCHEMBL13864932 0.76 CFTR (0.38) CFTRNOTUMMAPTALDH1A1LMNA
SCHEMBL12755249 0.75 ALDH1A1 (0.49) ALDH1A1GAAMRGPRX4KDM4EHPGD
SCHEMBL9914240 0.75 CYP19A1 (0.53) MAPTALDH1A1CYP19A1LMNAGAA
SCHEMBL9155408 0.74 MRGPRX4 (0.46) ALDH1A1LMNAMRGPRX4KDM4EHPGD

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
US-20090123854-A1 IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-05-14 — — US disclosed
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