SCHEMBL10065826

SCHEMBL10065826

CCCC(=O)C(C)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MTNR1B P49286 2/20 0.44
MTNR1A P48039 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
LPAR1 Q92633 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL27534818 0.78 KMT2A (0.52) HTTL3MBTL1POLBNPSR1MTNR1B
SCHEMBL11263712 0.78 KMT2A (0.49) HTTL3MBTL1POLBNPSR1KMT2A
SCHEMBL15243098 0.78 L3MBTL1 (0.48) HTTL3MBTL1POLBNPSR1MTNR1B
SCHEMBL8473051 0.77 PTGS2 (0.64) HTTL3MBTL1POLBNPSR1KMT2A
SCHEMBL15695551 0.77 PTGS1 (0.51) HTTL3MBTL1POLBNPSR1MTNR1B
SCHEMBL362211 0.77 PTGS2 (0.64) HTTL3MBTL1POLBNPSR1KMT2A
SCHEMBL7885098 0.77 PTGS2 (0.64) HTTL3MBTL1POLBNPSR1KMT2A
SCHEMBL28968065 0.76 TSHR (0.49) HTTL3MBTL1POLBNPSR1KMT2A
SCHEMBL4554195 0.75 KMT2A (0.53) HTTL3MBTL1POLBNPSR1MTNR1B
SCHEMBL9729192 0.75 KMT2A (0.53) HTTL3MBTL1POLBNPSR1MTNR1B

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
WO-2012009372-A2 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-01-19 WO disclosed