SCHEMBL8660447

SCHEMBL8660447

CCOC(=O)c1cc(C)c(F)nc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GLP1R P43220 1/20 0.40
HPGD P15428 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
SCHEMBL9800425 0.83 KDM4E (0.50) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL8656659 0.81 GLP1R (0.46) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL8323264 0.77 ALOX15 (0.47) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL9869495 0.77 CA12 (0.42) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL8832491 0.75 CASP1 (0.49) TSHRKDM4EL3MBTL1MAPK1ALDH1A1
SCHEMBL4625850 0.74 TSHR (0.61) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL16302043 0.74 TSHR (0.61) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL13296148 0.74 KDM4E (0.49) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL8318983 0.74 ALDH1A1 (0.50) TSHRKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL9315414 0.74 SMN1; SMN2 (0.56) TSHRKDM4EL3MBTL1ALDH1A1ALOX15

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
US-5840904-A Fluoro-pyridine-2,3-dicarboxylic anhydrides which are intermediates for herbicidal pyridine-2,3-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5679622-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed