SCHEMBL21745527

SCHEMBL21745527

CCOC(=O)C(F)(F)c1ccc(Oc2ccc(CC)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ SCN9A Q15858 5/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ KCNQ4 P56696 1/20 0.36
▸ KCNQ5 Q9NR82 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14466833 0.87 KCNQ3 (0.42) MAOBHDAC4HDAC6KCNQ3KCNQ2
SCHEMBL29700365 0.84 KDM4E (0.41) SCN9AALDH1A1
SCHEMBL15584628 0.84 KDM4E (0.41) SCN9AALDH1A1
SCHEMBL17583176 0.84 POLB (0.46) ALDH1A1
SCHEMBL17420502 0.83 ALDH1A1 (0.47) HDAC4HDAC6ALDH1A1
SCHEMBL17583161 0.81 ALDH1A1 (0.39) HDAC4HDAC6MRGPRX4ALDH1A1
SCHEMBL17420547 0.81 ACACB (0.39) ALDH1A1
SCHEMBL17583134 0.80 KCNQ3 (0.42) HDAC4HDAC6KCNQ3KCNQ2KCNQ4
SCHEMBL17583121 0.80 KCNQ3 (0.42) HDAC4HDAC6KCNQ3KCNQ2KCNQ4
SCHEMBL14405707 0.79 KCNQ3 (0.41) HDAC4HDAC6KCNQ3KCNQ2KCNQ4

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-2020037109-A1 PROCESSES FOR FLUORINATION DOW AGROSCIENCES LLC (US) 2020-02-20 — — WO disclosed
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