SCHEMBL7746372

SCHEMBL7746372

CCC(=O)Oc1cccc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAMPT P43490 1/20 0.39
ACHE P22303 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ALOX12 P18054 1/20 0.38
ESR1 P03372 1/20 0.38
HIF1A Q16665 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL27653926 0.88 CA2 (0.47) CA2GABRA1GABRB2KDM4EALDH1A1
SCHEMBL30201392 0.85 TDP1 (0.55) KDM4EALDH1A1ATMTDP1NAMPT
SCHEMBL1791077 0.85 TDP1 (0.55) KDM4EALDH1A1ATMTDP1NAMPT
SCHEMBL3902495 0.84 KDM4E (0.41) CA2KDM4EALDH1A1ATMTDP1
SCHEMBL15548141 0.84 KDM4E (0.41) KDM4EALDH1A1ATMTDP1ACHE
SCHEMBL6231032 0.81 CA2 (0.55) CA2GABRA1GABRB2KDM4EALDH1A1
SCHEMBL67780 0.81 ALOX15 (0.50) CA2KDM4EALDH1A1TDP1ACHE
SCHEMBL27952814 0.81 CA2 (0.50) CA2GABRA1GABRB2KDM4EALDH1A1
SCHEMBL28171460 0.80 CA2 (0.59) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL3106511 0.80 NLRP3 (0.44) CA2KDM4EALDH1A1ACHEESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973711-A4 OLIGOMERIC FLAME RETARDANT ADDITIVE GREAT LAKES CHEMICAL CORP (US) 2001-01-24 EP disclosed
EP-0973711-A1 OLIGOMERIC FLAME RETARDANT ADDITIVE GREAT LAKES CHEMICAL CORPORATION (US) 2000-01-26 EP disclosed
WO-1998041491-A1 OLIGOMERIC FLAME RETARDANT ADDITIVE GREAT LAKES CHEMICAL CORPORATION (US) 1998-09-24 WO disclosed