SCHEMBL4429993

SCHEMBL4429993

Cc1[c]ccc(-c2cc(C)ccc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.38
ESRRA P11474 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
ABL1 P00519 1/20 0.32
SLC9A1 P19634 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CREBBP Q92793 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
HSD17B10 Q99714 2/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL4430969 0.81 MAP4K4 (0.42) ABL1KDM4E
SCHEMBL4429899 0.81 AGPAT2 (0.33)
SCHEMBL4433441 0.81 MAOB (0.31) MAOAMAOB
SCHEMBL4431126 0.81 ALKBH3 (0.37)
SCHEMBL4429707 0.79 ACHE (0.46) ALDH1A1HPGDMEN1KMT2ABACE1
SCHEMBL4430076 0.79 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL374592 0.78 MCL1 (0.45) ALDH1A1BACE1CASP3RAB9ASMN1; SMN2
SCHEMBL2750274 0.78 ESRRA (0.38) S1PR4ESRRAALDH1A1TDP1HPGD
SCHEMBL4437593 0.78 NOTUM (0.43) ABL1MAPTTP53
SCHEMBL1939273 0.76 ALDH1A1 (0.31) ALDH1A1TDP1

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 5 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
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed