SCHEMBL5155253

SCHEMBL5155253

CCCOc1cc(C(=O)O)cc(C(=O)N(C)CCC)c1.CCCOc1cc(C(=O)O)cc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.47
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 3/20 0.40
MAPT P10636 2/20 0.38
DRD2 P14416 1/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.36
MEP1B Q16820 1/20 0.36
FABP1 P07148 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
PLK1 P53350 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 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
SCHEMBL3859945 0.92 PLA2G2A (0.54) PLA2G2AKMT2ANR1H4DRD2RAB9A
SCHEMBL3858281 0.87 PLA2G2A (0.59) PLA2G2AKMT2ANR1H4MAPTRAB9A
SCHEMBL5158669 0.84 LMNA (0.39) PLA2G2AKMT2AMAPTLMNAKDM4E
SCHEMBL19999965 0.81 MAPT (0.55) PLA2G2AKMT2ANR1H4MAPTRAB9A
SCHEMBL5156755 0.81 MEN1 (0.39) KMT2AMAPTRAB9ALMNAKDM4E
SCHEMBL4373510 0.81 LMNA (0.36) PLA2G2AKMT2AMAPTLMNAKDM4E
SCHEMBL2772131 0.80 PLA2G2A (0.67) PLA2G2AKMT2ANR1H4MAPTRAB9A
SCHEMBL3854271 0.80 HCAR3 (0.44) PLA2G2AKMT2ARAB9A
SCHEMBL3854874 0.79 NOTUM (0.48) KMT2AMAPTLMNAKDM4E
SCHEMBL3886309 0.79 LMNA (0.43) KMT2AMAPTLMNAKDM4E

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-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed