SCHEMBL9199787

SCHEMBL9199787

COC(=O)c1ccc(C(=O)c2c(OCc3ccccc3)cccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ATM Q13315 1/20 0.53
PTGER1 P34995 1/20 0.52
RXRA P19793 2/20 0.51
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
BRD4 O60885 1/20 0.48
KMT2A Q03164 2/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9199012 0.90 MAPT (0.54) LMNARAB9AMAPTL3MBTL1ATM
SCHEMBL28376684 0.85 MAPT (0.63) LMNARAB9AMAPTL3MBTL1ATM
SCHEMBL9195901 0.84 LMNA (0.55) LMNARAB9AMAPTL3MBTL1ATM
SCHEMBL9199781 0.82 PTGER1 (0.55) MAPTL3MBTL1ATMPTGER1RXRA
SCHEMBL1097551 0.81 SGMS2 (0.54) LMNARAB9AMAPTL3MBTL1PTGER1
SCHEMBL9195985 0.81 ALDH1A1 (0.55) L3MBTL1PTGER1RXRAHPGDALDH1A1
SCHEMBL1097870 0.81 FOLH1 (0.62) MAPTL3MBTL1PTGER1NPC1ALDH1A1
SCHEMBL8325228 0.80 RAB9A (0.56) LMNARAB9AMAPTL3MBTL1ATM
SCHEMBL8204602 0.80 RAB9A (0.60) LMNARAB9AMAPTL3MBTL1NPC1
SCHEMBL25246749 0.79 MEN1 (0.55) LMNARAB9AMAPTL3MBTL1PTGER1

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-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed