SCHEMBL8004545

SCHEMBL8004545

CC1(C)CC2(CC(C)(C)c3ccc(Oc4cc(N)cc(C(F)(F)F)c4)cc32)c2cc(Oc3cc(N)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KIF11 P52732 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
NLRP3 Q96P20 1/20 0.31
KRAS P01116 1/20 0.30
SOS1 Q07889 1/20 0.30
TSHR P16473 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
SCHEMBL8013533 0.81 TEAD4 (0.44) RXRARXRBRXRGRAB9AMAPT
SCHEMBL29608602 0.80 SMN1; SMN2 (0.47) RXRARXRBRXRGRAB9AMAPT
SCHEMBL203793 0.80 SMN1; SMN2 (0.47) RXRARXRBRXRGRAB9AMAPT
SCHEMBL29521690 0.79 MAOB (0.49) RXRARXRBRXRGRAB9AMAPT
SCHEMBL204909 0.79 MAOB (0.49) RXRARXRBRXRGRAB9AMAPT
SCHEMBL8021551 0.76 L3MBTL1 (0.37) CTSDBACE1L3MBTL1RAB9AMAPT
SCHEMBL7194629 0.76 RAB9A (0.48) L3MBTL1RAB9AMAPTMEN1KMT2A
SCHEMBL7194344 0.76 RAB9A (0.48) L3MBTL1RAB9AMAPTMEN1KMT2A
SCHEMBL16248010 0.75 SMN1; SMN2 (0.49) RXRARXRBRXRGRAB9AMAPT
SCHEMBL7186658 0.74 ALDH1A1 (0.47) L3MBTL1RAB9AMAPTKIF11MEN1

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-6080833-A BIS(HYDROXYALKOXYLATED) 1,1'-SPIROBIINDAN POLYCARBONATES AND POLYESTERS POLYMERS AND CURABLE COMPOUNDS SUCH AS BIS(ACRYLATED ALKOXY)SPIROBIINDANS; ALSO POLYAMIDES AND POLYIMIDES CONTAINING SPIROBIINDAN GROUPS MITSUI CHEMICALS, INC. (JP) 2000-06-27 US disclosed
EP-0822545-A2 Optical component and spirobiindan polymer therefor MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-02-04 EP disclosed