SCHEMBL9505041

SCHEMBL9505041

C=CC(CC(=O)[C@H](CC(=O)OC1CCCCC1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.39
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM3 P20309 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
SCHEMBL9508388 0.91 CACNA1B (0.40) CACNA1BLMNAALDH1A1RAB9ACYP1A2
SCHEMBL9508963 0.76 CACNA1B (0.52) CACNA1BCYP2D6
SCHEMBL9504934 0.75 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2D6
SCHEMBL29257652 0.67 CYP2C19 (0.44) CACNA1BLMNAALDH1A1RAB9AMAPT
SCHEMBL9507121 0.66 CACNA1B (0.53) CACNA1BCYP2D6
SCHEMBL7666109 0.65 LMNA (0.47) CACNA1BLMNAALDH1A1RAB9ACYP1A2
SCHEMBL8064662 0.65 CHRM3 (0.46) LMNAALDH1A1RAB9ACYP2D6GAA
SCHEMBL28544688 0.64 LMNA (0.64) LMNAALDH1A1RAB9ACYP1A2CYP2D6
SCHEMBL7671894 0.63 SMN1; SMN2 (0.47) LMNAALDH1A1CYP1A2CYP2D6SCN1A
SCHEMBL5799829 0.63 KMT2A (0.43) LMNAALDH1A1HSD17B10

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
EP-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed