SCHEMBL4553496

SCHEMBL4553496

Cc1cc[c]c(-c2cc(C)ccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
SLC9A1 P19634 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
S1PR4 O95977 4/20 0.33
ELANE P08246 1/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RECQL P46063 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4440097 0.85 IDO1 (0.39) S1PR4KDM4ERAPGEF4
SCHEMBL4427424 0.85 ALDH1A1 (0.35) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL4439277 0.85 ALDH1A1 (0.36) ALDH1A1RAPGEF4
SCHEMBL10939076 0.83 MAPT (0.39) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL4436934 0.82 ALDH1A1 (0.35) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL9656546 0.82 TSHR (0.36) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL3912578 0.82 NPC1 (0.35) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL4439151 0.81 NOTUM (0.43) CYP1A2RAPGEF4
SCHEMBL5325193 0.80 ELANE (0.38) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL4429962 0.80 ALKBH3 (0.36) ALDH1A1HPGDMEN1KMT2AMAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed