SCHEMBL718903

SCHEMBL718903

CC#CN1C(=O)CCC(c2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.45
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.44
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CTRB1 P17538 1/20 0.36
SRD5A2 P31213 2/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 3/20 0.34

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
SCHEMBL721961 0.81 KMT2A (0.42) SRD5A1KMT2ATSHRDDB1CRBN
SCHEMBL9800237 0.76 KMT2A (0.69) SRD5A1KMT2ATSHRDDB1CRBN
SCHEMBL13495329 0.75 KMT2A (0.46) SRD5A1KMT2ATSHRDDB1CRBN
SCHEMBL14560485 0.68 CYP19A1 (0.56) SRD5A1KMT2ATSHRCHRM2CHRM4
SCHEMBL3631484 0.67 KMT2A (0.41) SRD5A1KMT2ATSHRDDB1CRBN
SCHEMBL14560486 0.66 CYP19A1 (0.57) KMT2ATSHRMEN1
SCHEMBL16203621 0.65 TSHR (0.53) SRD5A1KMT2ATSHRDDB1CRBN
SCHEMBL15203830 0.65 TSHR (0.53) SRD5A1KMT2ATSHRDDB1CRBN
SCHEMBL7748351 0.65 ALDH1A1 (0.51) SRD5A1KMT2ATSHRDDB1CRBN
SCHEMBL3631486 0.65 KMT2A (0.42) SRD5A1KMT2ATSHRDDB1CRBN

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
US-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed