SCHEMBL3629026

SCHEMBL3629026

CCC(C)(C)c1cccc(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
ATM Q13315 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PTPN5 P54829 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MDM4 O15151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL10593403 0.83 NPC1 (0.45) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23773696 0.83 KIF11 (0.46) KIF11SMN1; SMN2PTPN5KDM4EMAPT
SCHEMBL21537501 0.82 NPC1 (0.45) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL779789 0.81 MAPK1 (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL19702038 0.80 KIF11 (0.44) KIF11SMN1; SMN2LMNAPTPN5KDM4E
SCHEMBL4984000 0.80 KIF11 (0.44) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4943386 0.80 PTGS2 (0.50) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL598661 0.79 KIF11 (0.49) KIF11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16191335 0.79 KIF11 (0.49) KIF11SMN1; SMN2LMNAPTPN5KDM4E
SCHEMBL4981920 0.79 KIF11 (0.49) KIF11SMN1; SMN2LMNAPTPN5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US claimed
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US disclosed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US disclosed