SCHEMBL879305

SCHEMBL879305

Cc1c(C(=O)C(C)C)oc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.54
RECQL P46063 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 3/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HCRTR1 O43613 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.50
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL721470 0.82 KCNH2 (0.62) KCNH2TSHRHTTRECQLALDH1A1
SCHEMBL442779 0.80 MCL1 (0.60) KCNH2TSHRHTTRECQLALDH1A1
SCHEMBL114250 0.80 KMT2A (0.60) KCNH2TSHRHTTRECQLALDH1A1
SCHEMBL23665644 0.80 POLB (0.50) KCNH2ALDH1A1HPGDKMT2ARAB9A
SCHEMBL7030842 0.79 KCNH2 (0.68) KCNH2TSHRHTTRECQLALDH1A1
SCHEMBL720361 0.79 POLB (0.49) KCNH2TSHRHTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL9789912 0.79 MCL1 (0.58) KCNH2TSHRHTTRECQLALDH1A1
SCHEMBL992866 0.79 KCNH2 (0.58) KCNH2TSHRHTTRECQLALDH1A1
SCHEMBL25472764 0.79 KCNH2 (0.58) KCNH2TSHRHTTRECQLALDH1A1
SCHEMBL353910 0.79 KCNH2 (0.58) KCNH2TSHRHTTRECQLALDH1A1

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-1682537-B1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC (US) 2012-03-28 EP disclosed