SCHEMBL2001065

SCHEMBL2001065

CC(C)(C)c1cccc(C(C)(C)C)c1-c1c(OPO)cccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
ADRB2 P07550 4/20 0.34
ADRB1 P08588 2/20 0.34
CA2 P00918 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
BCHE P06276 1/20 0.32
HRH1 P35367 1/20 0.31

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
SCHEMBL499968 0.90 CA2 (0.33) PTPN5TDP1ATMCA2ALDH1A1
SCHEMBL500051 0.84 CA2 (0.33) PTPN5TDP1ATMCA2ALDH1A1
SCHEMBL1898406 0.82 IDO1 (0.33) PTPN5ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL1897893 0.82 NPC1 (0.35) PTPN5ADRB2ALDH1A1RXRARXRB
SCHEMBL1888009 0.81 HNF4A (0.38) TDP1ALDH1A1KDM4EGAARXRA
SCHEMBL1882143 0.81 CA2 (0.36) PTPN5TDP1ATMCA2ALDH1A1
SCHEMBL27998072 0.78 PTPN5 (0.36) PTPN5TDP1ATMADRB2ADRB1
SCHEMBL499967 0.78 PTPN5 (0.31) PTPN5TDP1ATMCA2ALDH1A1
SCHEMBL1997761 0.78 IDO1 (0.36) PTPN5RXRARXRBIDO1
SCHEMBL9064517 0.77 PSMB5 (0.38) TDP1ALDH1A1KDM4E

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-8969436-B2 Method of producing a molded article TEIJIN CHEMICALS, LTD. (JP) 2015-03-03 US disclosed
US-20110147992-A1 METHOD OF PRODUCING A MOLDED ARTICLE TEIJIN CHEMICALS, LTD. (JP) 2011-06-23 US disclosed