SCHEMBL16628134

SCHEMBL16628134

c1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
EPHX2 P34913 6/20 0.45
PPARG P37231 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 2/20 0.44
MAPK1 P28482 2/20 0.43
NTSR1 P30989 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
RECQL P46063 1/20 0.42
HTR1B P28222 1/20 0.42
P2RX7 Q99572 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL6437134 0.84 GAA (0.56) EPHX2PPARGALDH1A1MEN1LMNA
SCHEMBL21900500 0.83 ALDH1A1 (0.46) EPHX2PPARGALDH1A1MEN1LMNA
SCHEMBL16621363 0.83 ALDH1A1 (0.49) EPHX2PPARGALDH1A1MEN1LMNA
SCHEMBL16628135 0.81 DHFR (0.46) KCNA3EPHX2MEN1KMT2AP2RX7
SCHEMBL2387597 0.81 PKM (0.53) EPHX2PPARGALDH1A1MEN1KMT2A
SCHEMBL16628144 0.80 ALDH1A1 (0.43) EPHX2PPARGALDH1A1MEN1LMNA
SCHEMBL4071443 0.79 ALDH1A1 (0.45) EPHX2PPARGALDH1A1MEN1LMNA
SCHEMBL13940054 0.79 PPARG (0.44) EPHX2PPARGALDH1A1MEN1LMNA
SCHEMBL2748297 0.78 MEN1 (0.51) EPHX2ALDH1A1MEN1LMNAKMT2A
SCHEMBL7732958 0.77 L3MBTL1 (0.57) EPHX2PPARGALDH1A1MEN1LMNA

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-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed