SCHEMBL4378666

SCHEMBL4378666

COc1cccc(C23C=CC(CC2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
SLC6A4 P31645 9/20 0.44
SLC6A2 P23975 7/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SLC22A1 O15245 3/20 0.41
OPRM1 P35372 3/20 0.41
KMT2A Q03164 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ADAM17 P78536 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
SCHEMBL2310211 0.85 NPY1R (0.42) ALDH1A1KMT2AMEN1
SCHEMBL4389642 0.83 DRD2 (0.36) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL1264744 0.81 HTR2C (0.39) SLC6A2SLC6A3OPRM1KMT2AMEN1
SCHEMBL4381112 0.78 ALDH1A1 (0.40) ALDH1A1OPRM1KMT2A
SCHEMBL1978923 0.77 SMN1; SMN2 (0.33) CHRM2CHRM1
SCHEMBL11593472 0.74 HSD11B1 (0.40) KDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL9101142 0.74
SCHEMBL4391399 0.70 KDM1A (0.44) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL1012805 0.70 MAOB (0.39) SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL4258766 0.69 SLC6A2 (0.33) SLC6A4SLC6A2ALDH1A1

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