SCHEMBL30838554

SCHEMBL30838554

CC(C)C(C(=O)NN)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
FFAR2 O15552 6/20 0.49
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GAA P10253 1/20 0.44
NCOR2 Q9Y618 3/20 0.41
HTT P42858 1/20 0.41
GRM7 Q14831 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL13448625 0.84 FFAR2 (0.69) FFAR2HDAC3HDAC1HDAC2HDAC4
SCHEMBL5739780 0.81 ALDH1A1 (0.57) ALDH1A1HDAC3HDAC1HDAC2HDAC4
SCHEMBL1578231 0.81 CTSD (0.60) FFAR2HDAC3HDAC1HDAC2HDAC4
SCHEMBL9908240 0.80 KMT2A (0.53) ALDH1A1FFAR2HDAC3HDAC1HDAC2
SCHEMBL5519250 0.80 KMT2A (0.53) ALDH1A1FFAR2HDAC3HDAC1HDAC2
SCHEMBL11316797 0.79 FFAR2 (0.42) ALDH1A1FFAR2HDAC3HDAC1HDAC2
SCHEMBL27425019 0.79 FFAR2 (0.44) ALDH1A1FFAR2HDAC3HDAC1HDAC2
SCHEMBL11274436 0.78 FFAR2 (0.44) ALDH1A1FFAR2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL5794224 0.78 FFAR2 (0.41) ALDH1A1FFAR2HDAC3HDAC1HDAC2
SCHEMBL8352670 0.77 AKR1C3 (0.50) ALDH1A1FFAR2HDAC3HDAC1HDAC2

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-2024071629-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF (주)제이디바이오사이언스 2024-04-04 WO disclosed