SCHEMBL7239887

SCHEMBL7239887

CC(C)(C)C(=O)NCC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NPY2R P49146 1/20 0.46

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
SCHEMBL10413243 0.88 LMNA (0.56) SIGMAR1ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9686861 0.87 LMNA (0.55) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5431144 0.86 SIGMAR1 (0.54) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL14357537 0.85 SIGMAR1 (0.52) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL15709401 0.85 SIGMAR1 (0.53) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL15722751 0.84 SIGMAR1 (0.51) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7238864 0.81 SIGMAR1 (0.52) SIGMAR1ALDH1A1LMNAPOLBGAA
SCHEMBL4825496 0.80 SIGMAR1 (0.50) SIGMAR1LMNAMEN1KMT2A
SCHEMBL4825492 0.80 SIGMAR1 (0.50) SIGMAR1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7234734 0.80 SIGMAR1 (0.51) SIGMAR1ALDH1A1LMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531476-B1 Block multiplication of virus within body and restore immune functions by virtue of inhibitory activity toward platelet activating factor UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2003-03-11 US disclosed