SCHEMBL21132145

SCHEMBL21132145

CCC(C)(C)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CA1 P00915 2/20 0.38

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
SCHEMBL15342876 0.84 AR (0.41) TSHRNPC1SMN1; SMN2MAPTAR
SCHEMBL18826794 0.83 MEN1 (0.47) LMNASMN1; SMN2MEN1HTTKMT2A
SCHEMBL3162604 0.83 KIF11 (0.43) TSHRLMNATYRNPC1RAB9A
SCHEMBL12883526 0.81 TSHR (0.48) TSHRLMNATYRNPC1RAB9A
SCHEMBL20393589 0.80 HDAC3 (0.41) TSHRLMNATYRNPC1RAB9A
SCHEMBL21058261 0.80 MAPT (0.50) TSHRLMNANPC1MEN1MAPT
SCHEMBL23456270 0.78 L3MBTL1 (0.47) TSHRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL21799469 0.78 MAPT (0.40) TSHRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19334551 0.78 KDM4E (0.47) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL583081 0.77 CCNE2 (0.44) TSHRLMNAMAPTMAPK1KMT2A

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-20190190027-A1 ACTIVE MATERIAL, ELECTRODE, AND POWER STORAGE ELEMENT RICOH COMPANY, LTD. (JP) 2019-06-20 US disclosed