SCHEMBL17486870

SCHEMBL17486870

CCOC(=O)[C@@H]1C[C@@]1(C(C)=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.42
▸ ADAM17 P78536 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37

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
SCHEMBL15977624 0.88 L3MBTL1 (0.48) OPRM1ADAM17KMT2AALDH1A1MEN1
SCHEMBL15978574 0.87 OPRM1 (0.41) OPRM1ADAM17KMT2AALDH1A1MEN1
SCHEMBL17489528 0.83 SLC6A2 (0.47) —
SCHEMBL23020811 0.80 OPRM1 (0.43) OPRM1KMT2AALDH1A1MEN1LMNA
SCHEMBL11076991 0.77 OPRM1 (0.50) OPRM1ADAM17KMT2AMEN1HTT
SCHEMBL11076988 0.77 OPRM1 (0.50) OPRM1ADAM17KMT2AMEN1HTT
SCHEMBL15978559 0.76 ADAM17 (0.57) OPRM1ADAM17ALDH1A1HTTL3MBTL1
SCHEMBL19585730 0.76 ADAM17 (0.57) OPRM1ADAM17ALDH1A1HTTL3MBTL1
SCHEMBL11074900 0.75 ADAM17 (0.54) ADAM17KMT2AALDH1A1MEN1LMNA
SCHEMBL17792929 0.75 ALDH1A1 (0.47) OPRM1ADAM17KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160032330-A1 P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-02-04 — — US disclosed
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