SCHEMBL9410550

SCHEMBL9410550

CCOc1cccc(F)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.45
STING1 Q86WV6 1/20 0.45
RORC P51449 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPK1 P28482 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PDE10A Q9Y233 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
MCL1 Q07820 1/20 0.41
GAA P10253 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL16666142 0.88 GLA (0.52) L3MBTL1GLAALDH1A1TSHRMAPK1
SCHEMBL8262562 0.85 KMT2A (0.50) L3MBTL1GLAALDH1A1POLBTSHR
SCHEMBL5007630 0.85 L3MBTL1 (0.50) L3MBTL1GLAALDH1A1POLBPTGS1
SCHEMBL20239604 0.82 LMNA (0.46) L3MBTL1GLAALDH1A1POLBKMT2A
SCHEMBL10880239 0.81 ALDH1A1 (0.56) L3MBTL1GLAALDH1A1POLBTSHR
SCHEMBL4696202 0.81 MAPK1 (0.55) L3MBTL1GLAALDH1A1POLBTSHR
SCHEMBL28192820 0.81 MEN1 (0.50) L3MBTL1GLATSHRMAPK1PARP10
SCHEMBL4921124 0.81 CA12 (0.55) L3MBTL1ALDH1A1POLBCES2CES1
SCHEMBL29849387 0.81 CA12 (0.55) L3MBTL1ALDH1A1POLBCES2CES1
SCHEMBL2559679 0.81 CTSS (0.46) CES2CES1PARP10KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624567-A2 Derivatives of 3-fluorophenol, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 EP claimed
EP-0624567-A2 Derivatives of 3-fluorophenol, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 EP disclosed