SCHEMBL11257657

SCHEMBL11257657

CC(C)c1nccc2c(CO)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRB2 P47870 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
CYP19A1 P11511 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11250074 0.84 LOXL2 (0.49) LMNAKDM4ETP53MAPTTSHR
SCHEMBL11261342 0.84 GABRA1 (0.32) LMNAKDM4ETP53MAPTTSHR
SCHEMBL11261355 0.82 TDP1 (0.50) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5109205 0.81 MEN1 (0.45) LMNAKDM4ETP53MAPTTSHR
SCHEMBL11258743 0.80 ALDH1A1 (0.32) GABRA1GABRB2
SCHEMBL11255746 0.79 ALDH1A1 (0.40) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL11254420 0.77 PKM (0.45) LMNAKDM4EMAPTTSHRSMN1; SMN2
Formamide SCHEMBL11440222 0.77 TDP1 (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11267468 0.76 ANPEP (0.38) MAPTL3MBTL1MEN1KMT2A
SCHEMBL13051656 0.76 GABRA1 (0.40) LMNATP53MAPTTSHRNPC1

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-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed