SCHEMBL75495

SCHEMBL75495

C=C(C)C(=O)OCC12CC3CC(C1)C(CO)C(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL10064087 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL3797993 0.85 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL20349638 0.85 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL75840 0.77 CYP19A1 (0.31) ALDH1A1
SCHEMBL3791380 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL684276 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL1506678 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL12576381 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL549925 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL950132 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129100-B2 Double patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129100-B2 Double patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090253084-A1 DOUBLE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-20090253084-A1 DOUBLE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-08 US disclosed