SCHEMBL7780059

SCHEMBL7780059

CCOC(=O)C(Cc1ccccn1)(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
FDPS P14324 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.38
SYK P43405 1/20 0.38
PPARG P37231 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR3 Q99500 1/20 0.37
PIN1 Q13526 1/20 0.36

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
SCHEMBL5861527 0.94 RAB9A (0.46) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7787285 0.91 TRPM8 (0.45) RAB9AALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL5861519 0.84 TRPM8 (0.47) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5860443 0.83 L3MBTL1 (0.41) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7780096 0.79 ALDH1A1 (0.41) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5862688 0.79 SMN1; SMN2 (0.53) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5862800 0.78 ATM (0.48) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5860161 0.78 POLB (0.49) RAB9AKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7788753 0.78 ALDH1A1 (0.40) RAB9AALDH1A1KDM4ESMN1; SMN2FDPS
SCHEMBL7810409 0.76 ALDH1A1 (0.45) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2

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-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed