SCHEMBL9316767

SCHEMBL9316767

CC(C)NC(C)C.CCCC[Cs]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
EPHX1 P07099 1/20 0.30
THRB P10828 1/20 0.30

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
Hexane SCHEMBL9763562 0.82 TDP1 (0.57) TDP1MEN1FAAHMAPK1KMT2A
Hexane SCHEMBL9763768 0.79 TDP1 (0.53) TDP1MEN1FAAHMAPK1KMT2A
Heptane SCHEMBL17938082 0.79 TSHR (0.53) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL2175475 0.78
Heptane SCHEMBL29087108 0.77 TSHR (0.50) TDP1MEN1FAAHMAPK1KMT2A
Heptane SCHEMBL2515743 0.77 TSHR (0.50) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL449933 0.72 TSHR (0.55) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL3327682 0.72 TDP1 (0.44) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL1317865 0.72 TDP1 (0.44) TDP1MEN1FAAHMAPK1KMT2A
Butylamine SCHEMBL2810676 0.72 DNM1 (0.48) TDP1MEN1KMT2ATSHROPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308888-A Heat resistant, fire retardant resin HITACHI, LTD. (JP) 1994-05-03 US disclosed
EP-0444213-A1 HEXAFLUOROBUTADIENE PREPOLYMER, PRODUCTION THEREOF, POLYMERIZABLE COMPOSITION, AND LAMINATE HITACHI, LTD. (JP) 1991-09-04 EP disclosed