SCHEMBL942650

SCHEMBL942650

NC(=O)C(CCCC1CCCCCCC1)N1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.48
HSD11B1 P28845 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 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
SCHEMBL942902 0.73 SIGMAR1 (0.48) SIGMAR1ALDH1A1TSHRPOLB
SCHEMBL10559542 0.70 ALDH1A1 (1.00) ALDH1A1TSHRTP53HSD11B1CNR1
SCHEMBL7131881 0.70 ALDH1A1 (1.00) ALDH1A1TSHRTP53HSD11B1CNR1
SCHEMBL975229 0.68 SIGMAR1 (1.00) SIGMAR1ALDH1A1TSHRTP53HSD11B1
SCHEMBL30929928 0.68 ALDH1A1 (0.95) ALDH1A1TSHRTP53HSD11B1CNR1
SCHEMBL13503770 0.68 ALDH1A1 (0.70) SIGMAR1ALDH1A1TSHRHSD11B1CNR1
SCHEMBL941979 0.67 ALDH1A1 (0.49) SIGMAR1ALDH1A1TSHRHSD11B1CNR1
SCHEMBL20315424 0.66 ALDH1A1 (0.67) SIGMAR1ALDH1A1TSHRHSD11B1CNR1
SCHEMBL27108528 0.66 LMNA (0.56) SIGMAR1ALDH1A1TSHRTP53HSD11B1
SCHEMBL1554587 0.65 EPHX2 (0.41) SIGMAR1ALDH1A1TP53HSD11B1LMNA

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
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed