SCHEMBL28062873

SCHEMBL28062873

CCC(C)(C)C(=O)Oc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.47
FAAH O00519 1/20 0.45
OGG1 O15527 1/20 0.42
BCHE P06276 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ELANE P08246 1/20 0.41
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL2742153 0.84 CYP3A4 (0.59) POLBBCHEELANECYP3A4
SCHEMBL15495839 0.83 LMNA (0.57) POLBFAAHBCHECYP3A4
SCHEMBL18135084 0.83 CYP3A4 (0.57) ELANECYP3A4
SCHEMBL11515174 0.81 POLB (0.43) RIPK1POLBKDM4EFAAHOGG1
SCHEMBL25468124 0.81 NPC1 (0.42) POLBELANECYP3A4
SCHEMBL12021497 0.81 ELANE (0.41) POLBKDM4EELANECYP3A4
SCHEMBL28062739 0.81 RIPK1 (0.49) RIPK1POLBKDM4EELANECYP3A4
SCHEMBL15495641 0.81 RIPK1 (0.49) RIPK1POLBELANECYP3A4MAOB
SCHEMBL8701098 0.81 POLB (0.50) POLBKDM4EFAAHOGG1BCHE
SCHEMBL19845106 0.81 ALDH1A1 (0.39) RIPK1POLBELANECYP3A4

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
CN-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed