SCHEMBL21387011

SCHEMBL21387011

Cc1ccc(C(=O)C(=O)c2ccc(OC(F)F)c(C)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CES2 O00748 2/20 0.43
▸ CES1 P23141 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTT P42858 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ KCNE1 P15382 1/20 0.37

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
SCHEMBL4309410 0.91 CES2 (0.44) MAPTMEN1KMT2ACES2CES1
SCHEMBL2797936 0.90 CES2 (0.44) MAPTMEN1KMT2AALDH1A1CES2
SCHEMBL21387055 0.89 CES2 (0.53) MAPTMEN1KMT2AALDH1A1CES2
SCHEMBL8160796 0.87 CES2 (0.48) MAPTMEN1KMT2ACES2CES1
SCHEMBL15956511 0.85 CES2 (0.47) MAPTMEN1KMT2ACES2CES1
SCHEMBL4313438 0.85 CES2 (0.40) HDAC1HDAC6MAPTMEN1KMT2A
SCHEMBL4312458 0.84 REN (0.45) MAPTMEN1KMT2AALDH1A1CES2
SCHEMBL4316039 0.84 CES2 (0.58) MAPTCES2CES1HTTRAB9A
SCHEMBL4322471 0.83 TSHR (0.42) MAPTALDH1A1CES2CES1HTT
SCHEMBL15956962 0.83 CES2 (0.56) HDAC1HDAC6MEN1KMT2AALDH1A1

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-2956443-B1 HYDANTOINS THAT MODULATE BACE-MEDIATED APP PROCESSING BUCK INST RES AGING (US) 2019-09-25 — — EP disclosed
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