SCHEMBL684816

SCHEMBL684816

CCC(C)(C)CCOC(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
ESR1 P03372 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 2/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL19954841 0.87 MAPT (0.50) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL18179832 0.86 MAPT (0.47) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL20282186 0.85 LMNA (0.64) RAB9ATSHRTDP1ESR1ALDH1A1
SCHEMBL14607661 0.84 CYP1A2 (0.48) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL20776970 0.84 TSHR (0.45) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL21562135 0.83 MAPT (0.49) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL20936355 0.83 CA12 (0.50) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL13681405 0.81 RAB9A (0.42) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL15068275 0.80 MAPT (0.64) RAB9AHPGDMAPTTSHRTDP1
SCHEMBL680463 0.79 ALDH1A1 (0.72) RAB9AHPGDMAPTTSHRTDP1

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
US-20110278011-A1 MATERIALS AND METHODS FOR TEMPORARILY OBSTRUCTING PORTIONS OF DRILLED WELLS CHEMICAL DELIVERY SYSTEMS, INC. (US) 2011-11-17 US disclosed