SCHEMBL6590018

SCHEMBL6590018

[C]#CCCC1=CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL6587479 0.94
SCHEMBL6589598 0.82
SCHEMBL8521332 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL14840616 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL6593748 0.78
SCHEMBL14244155 0.78 SMN1; SMN2 (0.42) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL2513477 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL8381260 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL8671709 0.75 ALDH1A1 (0.50) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1
SCHEMBL27628750 0.73 SMN1; SMN2 (0.49) ALDH1A1ALOX15SMN1; SMN2USP2NPSR1

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-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed