SCHEMBL9816405

SCHEMBL9816405

COC(=O)CCCC(C)Cc1ccc2cc3cc(CC(C)CCCC(=O)OC)ccc3cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
ABL1 P00519 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 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
SCHEMBL27506588 0.80 CA12 (0.47) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL27488751 0.80 HDAC3 (0.47) PPARGPPARAALDH1A1MAPTKMT2A
SCHEMBL27487295 0.80 LMNA (0.48) ALDH1A1LMNAKMT2AHSD17B10TSHR
SCHEMBL27488015 0.78 SLC1A1 (0.43) PPARGPPARAKMT2AMAOA
SCHEMBL27505825 0.78 PNMT (0.48) ALDH1A1MAPTKMT2ATSHR
SCHEMBL2368827 0.76 BDKRB2 (0.53) GRIN2DGRIN2AGRIN2BGRIN2CCYP1A2
SCHEMBL22256182 0.74 HTR2A (0.51) PPARGPPARAKMT2ARAB9ASMN1; SMN2
SCHEMBL9816446 0.74 ALDH1A1 (0.53) PPARGPPARAALDH1A1CYSLTR2CYSLTR1
SCHEMBL31650453 0.74 LDHA (0.54) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL21617914 0.72 LMNA (0.60) ALDH1A1LMNAMAPTHTTKMT2A

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-0174271-B1 ANTHRACEME DERIVATIVES CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
EP-0174271-A2 Anthraceme derivatives CIBA-GEIGY AG (CH) 1986-03-12 EP disclosed