SCHEMBL5608458

SCHEMBL5608458

Cc1ccc(C)c(Oc2c(C)cccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
ACHE P22303 2/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9487249 0.83 KMT2A (0.42) TSHRGAAMAPTKMT2ACYP1A2
SCHEMBL3278966 0.82 ACHE (0.50) TSHRGAAKMT2ACYP1A2CYP2A6
SCHEMBL5608705 0.81 TSHR (0.50) TSHRRAB9AGAAKMT2AACHE
SCHEMBL9486403 0.80 MAPT (0.43) TSHRMAPTL3MBTL1KMT2ACYP1A2
SCHEMBL6452732 0.80 ACHE (0.52) TSHRRAB9AGAAMAPTL3MBTL1
SCHEMBL9486976 0.78 TSHR (0.56) TSHRRAB9AKMT2ACYP1A2ACHE
SCHEMBL9486947 0.78 ALDH1A1 (0.58) TSHRGAAL3MBTL1KMT2AACHE
SCHEMBL9486282 0.78 MAPT (0.41) TSHRRAB9AGAAMAPTL3MBTL1
SCHEMBL822665 0.75 TSHR (0.50) TSHRGAAKMT2ACYP2A6ACHE
SCHEMBL30695769 0.75 TSHR (0.50) TSHRGAAKMT2ACYP2A6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed