SCHEMBL3370216

SCHEMBL3370216

Cn1c(C(=O)O)ccc1-c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
LMNA P02545 1/20 0.46
SCN4A P35499 4/20 0.43
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 2/20 0.40
XDH P47989 1/20 0.40
SCN9A Q15858 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK2 O96017 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3761395 0.81 LMNA (0.66) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3760004 0.69 KDM4E (0.48) BACE1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3315939 0.68 BCL2L1 (0.65) ALDH1A1HPGDCHEK2BCL2L1BAD
SCHEMBL71983 0.67 MCL1 (0.48) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL17668667 0.65 BCL2L1 (0.55) LMNASCN4AMGLLALDH1A1HPGD
SCHEMBL13977275 0.65 NOTUM (0.53) KDM4EALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL6207370 0.64 BCL2L1 (0.54) LMNAHSD17B10ALOX15BCL2L1BAD
SCHEMBL6289867 0.64 SOS1 (0.58) LMNASCN4AKDM4EALDH1A1L3MBTL1
SCHEMBL351854 0.64 SOS1 (0.58) LMNASCN4AKDM4EALDH1A1L3MBTL1
SCHEMBL6290683 0.64 SOS1 (0.58) LMNASCN4AKDM4EALDH1A1L3MBTL1

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
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP claimed