SCHEMBL8906156

SCHEMBL8906156

CC(C)c1ccc(C(=O)c2ccc(C(C)c3ccc(=O)[nH]n3)[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MPI P34949 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NOTUM Q6P988 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESRRA P11474 2/20 0.32
PDE2A O00408 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8905900 0.90 LMNA (0.37) HTTLMNAMEN1KMT2AMAPT
SCHEMBL8905805 0.89 LMNA (0.38) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL8904194 0.88 CCNA2 (0.38) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL8905938 0.88 MEN1 (0.38) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL8904850 0.88 ALDH1A1 (0.40) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL9030270 0.88 PDE3B (0.42) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL8904574 0.86 NPC1 (0.42) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL8904626 0.86 CYP1A2 (0.48) MEN1KMT2AHPGDCYP2C9
SCHEMBL8904827 0.86 PDE3B (0.36) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL8905560 0.86 ALDH1A1 (0.46) ALDH1A1HTTLMNAMEN1KMT2A

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-5622948-A ANALGESICS SYNTEX (U.S.A.) INC. (US) 1997-04-22 US disclosed
EP-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed