SCHEMBL21157996

SCHEMBL21157996

CCC(C)(C)C(=O)c1cc(C=O)cc(C(=O)C(C)(C)CC)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 1/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.32
▸ RIPK1 Q13546 5/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 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
SCHEMBL13849363 0.80 PPARG (0.36) RIPK1
SCHEMBL21157993 0.79 CA5A (0.41) RIPK1POLB
SCHEMBL21186811 0.77 GABBR2 (0.37) UNGEPHX2NR1H4ALDH1A1ADRB2
SCHEMBL21186726 0.75 ACHE (0.46) RIPK1L3MBTL1POLB
SCHEMBL12948138 0.73 MLYCD (0.42) ALDH1A1RIPK1
SCHEMBL20081133 0.71 ELANE (0.37) RIPK1
SCHEMBL13334393 0.70 ACHE (0.42) RIPK1POLB
SCHEMBL21179844 0.69 SMN1; SMN2 (0.41) ALDH1A1
SCHEMBL12508632 0.69 ACHE (0.41) RIPK1L3MBTL1POLB
SCHEMBL17286081 0.69 ALDH1A1 (0.42) ALDH1A1POLB

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
EP-3145985-B1 FUNCTIONALIZED POLYMER PARTICLES FOR USE AS TOUGHENING AGENT CYTEC IND INC (US) 2019-07-10 — — EP disclosed
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