SCHEMBL4391399

SCHEMBL4391399

COc1cccc(C23C=CC(CC2)O3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
SLC6A4 P31645 9/20 0.43
SLC6A2 P23975 8/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC22A1 O15245 3/20 0.40
OPRM1 P35372 3/20 0.40
KMT2A Q03164 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL4391453 0.84 DRD2 (0.38) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL4378666 0.70 KDM1A (0.49) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL10968901 0.69 SLC6A4 (0.51) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL6848853 0.68 SLC6A4 (0.52) KDM1ASLC6A4SLC6A2SLC6A3SLC22A1
SCHEMBL6848857 0.68 SLC6A4 (0.52) KDM1ASLC6A4SLC6A2SLC6A3SLC22A1
SCHEMBL6851956 0.68 SLC6A4 (0.52) KDM1ASLC6A4SLC6A2SLC6A3SLC22A1
SCHEMBL6848854 0.68 SLC6A4 (0.52) KDM1ASLC6A4SLC6A2SLC6A3SLC22A1
SCHEMBL6851950 0.68 SLC6A4 (0.52) KDM1ASLC6A4SLC6A2SLC6A3SLC22A1
SCHEMBL6841581 0.67 KDM1A (0.54) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL6448504 0.67 KDM1A (0.54) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211984-B2 Ring-opening metathesis polymer, hydrogenated product thereof, method for preparing the same, and use thereof MITSUI CHEMICALS, INC. (JP) 2012-07-03 US disclosed
US-20090215974-A1 RING-OPENING METATHESIS POLYMER, HYDROGENATED PRODUCT THEREOF, METHOD FOR PREPARING THE SAME, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2009-08-27 US disclosed
EP-2045280-A1 RING-OPENING METATHESIS POLYMERS, PRODUCTS OF HYDROGENATION THEREOF, PROCESS FOR PRODUCTION OF THE SAME AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2009-04-08 EP disclosed