SCHEMBL7705029

SCHEMBL7705029

C/C=C/C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 4/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.47
ATM Q13315 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.47
NLRP1 Q9C000 1/20 0.47
NTSR1 P30989 1/20 0.47
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44

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
SCHEMBL7705031 1.00 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL11027336 0.90 ALDH1A1 (0.58) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL11027332 0.90 ALDH1A1 (0.58) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL10922241 0.82 ALDH1A1 (0.63) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL10922239 0.82 ALDH1A1 (0.63) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL19193673 0.79 MAPT (0.58) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL11465588 0.79 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL801553 0.79 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1483722 0.79 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL4905776 0.78 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed
US-RE37573-E1 Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands BASELL POLYOLEFIN GMBH (DE) 2002-03-05 US disclosed
US-5869584-A Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands TARGOR GMBH (DE) 1999-02-09 US disclosed
EP-0582194-B1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands TARGOR GMBH (DE) 1998-05-06 EP disclosed
US-5455365-A Metallocene compound containing substituted indenyl ligand and transition metal element from groups IVb, Vb, or VIb; addition polymerization with aluminoxane cocatalyst HOECHST AG (DE) 1995-10-03 US disclosed
EP-0582194-A1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-09 EP disclosed