SCHEMBL11095832

SCHEMBL11095832

C[C](C)c1ccc(OC(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ ADAM17 P78536 1/20 0.55
▸ GAA P10253 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ ATM Q13315 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL1906677 0.83 ALOX15 (0.61) ALOX15GFERADAM17GAAKDM4E
SCHEMBL21740372 0.83 ALOX15 (0.52) ALOX15GFERADAM17GAAKDM4E
SCHEMBL11065049 0.80 DRD1 (0.56) ALOX15GFERADAM17GAAKDM4E
SCHEMBL20161382 0.79 ALOX15 (0.49) ALOX15GFERADAM17GAAKDM4E
SCHEMBL9247198 0.79 KMT2A (0.63) GAAKDM4ELMNAPOLBMAPT
SCHEMBL753615 0.78 MAPT (0.70) ALOX15GFERADAM17GAAKDM4E
SCHEMBL7984136 0.78 ALOX15 (0.56) ALOX15GFERADAM17GAAKDM4E
SCHEMBL7042503 0.77 ALOX15 (0.66) ALOX15GFERADAM17KDM4EATM
SCHEMBL2791684 0.77 ALOX15 (0.66) ALOX15GFERADAM17KDM4EATM
SCHEMBL16959762 0.77 ALOX15 (0.37) ALOX15GFERADAM17GAAKDM4E

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
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 — — EP disclosed
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