SCHEMBL23905293

SCHEMBL23905293

CCC(=O)c1cc(C)c(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
PPARA Q07869 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.35
PIM1 P11309 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
SCHEMBL3547368 0.88 CES2 (0.56) MAPTCES2CES1ALDH1A1HPGD
SCHEMBL13971730 0.82 HDAC1 (0.53) MAPTCES2CES1ALDH1A1HPGD
SCHEMBL2183846 0.78 CES2 (0.48) MAPTCES2CES1ALDH1A1HPGD
SCHEMBL3085193 0.78 MAPT (0.47) MAPTCES2CES1ALDH1A1HPGD
SCHEMBL13293382 0.78 CES2 (0.48) CES2CES1ALDH1A1TSHRHDAC1
SCHEMBL9720573 0.77 PPARA (0.46) MAPTALDH1A1HPGDTSHRPPARA
SCHEMBL8256684 0.77 PIM1 (0.55) MAPTALDH1A1HPGDTSHRPPARA
SCHEMBL9720643 0.77 HDAC1 (0.58) MAPTALDH1A1HPGDTSHRGAA
SCHEMBL8159099 0.76 MAPT (0.46) MAPTCES2CES1ALDH1A1HPGD
SCHEMBL3549232 0.76 MAPT (0.50) MAPTCES2CES1ALDH1A1HPGD

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed